SCHEMBL12410896

SCHEMBL12410896

CC(C)c1cc2ccccc2nc1C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
MAPT P10636 2/20 0.48
GLA P06280 1/20 0.48
ACHE P22303 1/20 0.48
TLR8 Q9NR97 4/20 0.42
CYP1A2 P05177 3/20 0.42
HTR3A P46098 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
STAT3 P40763 1/20 0.41
NCF1 P14598 2/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
PDE10A Q9Y233 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19121389 0.87 ALDH1A1 (0.43) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL14726026 0.82 HPGD (0.48) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL12388168 0.80 ALDH1A1 (0.55) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL2609290 0.80 TDP1 (0.55) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL21323660 0.79 HTR2A (0.41) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL2968593 0.78 ALDH1A1 (0.58) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL20485585 0.78 TLR8 (0.49) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL831159 0.78 EGFR (0.53) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL29989693 0.78 TLR8 (0.49) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL22045308 0.78 TLR8 (0.57) ALDH1A1HPGDMAPTGLAACHE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11738013-B2 Methods for treating hepatitis B virus infections using NS5A, NS5B or NS3 inhibitors GILEAD SCIENCES, INC. (US) 2023-08-29 US disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
US-20230192705-A1 SHP2 INHIBITORS, COMPOSITIONS AND USES THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2023-06-22 US disclosed
CN-115819466-A Binuclear iridium complex and application thereof in organic electronic device 广州追光科技有限公司 2023-03-21 CN disclosed
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. 2023-01-05 US disclosed
US-20210147406-A1 5-MEMBERED AND BICYCLIC HETEROCYCLIC AMIDES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2021-05-20 US disclosed
US-20210052584-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-25 US disclosed
US-10758534-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-09-01 US disclosed
US-20190269683-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-09-05 US disclosed
US-7902196-B2 Synthesis of avrainvillamide, strephacidin B, and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-03-08 US disclosed
US-7799795-B2 Aryl nitrile compounds and compositions and their uses in treating inflammatory and related disorders AMGEN INC. (US) 2010-09-21 US disclosed
US-7718648-B2 Pyridobenzazepine compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-05-18 US disclosed
US-20090299060-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
US-7572784-B2 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-08-11 US disclosed
US-20090143581-A1 SYNTHESIS OF AVRAINVILLAMIDE, STREPHACIDIN B, AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-06-04 US disclosed
US-20080045501-A1 Pyridobenzazepine compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-02-21 US disclosed
EP-1771450-B1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION BY INHIBITION OF AURORA KINASE MILLENNIUM PHARM INC (US) 2007-12-19 EP disclosed
US-20070185087-A1 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 US disclosed
US-20070015773-A1 Aryl nitrile compounds and compositions and their uses in treating inflammatory and related disorders AMGEN INC. 2007-01-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210147406-A1 5-MEMBERED AND BICYCLIC HETEROCYCLIC AMIDES AS INHIBITORS OF ROCK MYLK, ROCK1, ROCK2 ALDH1A1 3032/4885HPGD 1255/4885MAPT 289/4885
US-20230192705-A1 SHP2 INHIBITORS, COMPOSITIONS AND USES THEREOF PTPN1, PTPN7, PTPN22 ALDH1A1 4106/4885HPGD 3138/4885MAPT 4450/4885
US-20070185087-A1 Compounds and methods for inhibiting mitotic progression AURKC, AURKA, AURKB ALDH1A1 3815/4885HPGD 3965/4885MAPT 676/4885
US-20080045501-A1 Pyridobenzazepine compounds and methods for inhibiting mitotic progression AURKB, AURKC, AURKA ALDH1A1 3480/4885HPGD 3775/4885MAPT 506/4885
US-20210052584-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 ALDH1A1 3524/4885HPGD 1850/4885MAPT 4883/4885
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 ALDH1A1 3524/4885HPGD 1850/4885MAPT 4883/4885
US-11738013-B2 Methods for treating hepatitis B virus infections using NS5A, NS5B or NS3 inhibitors HAVCR2, EIF2AK2, HSP90B1 ALDH1A1 3064/4885HPGD 2521/4885MAPT 3191/4885
US-20090143581-A1 SYNTHESIS OF AVRAINVILLAMIDE, STREPHACIDIN B, AND ANALOGUES THEREOF MDN1, BIRC3, STAMBP ALDH1A1 4710/4885HPGD 1840/4885MAPT 2127/4885
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES PADI4, PADI2, PADI1 ALDH1A1 2537/4885HPGD 729/4885MAPT 3578/4885
US-20090299060-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION AURKC, AURKA, AURKB ALDH1A1 3815/4885HPGD 3965/4885MAPT 676/4885
US-20070015773-A1 Aryl nitrile compounds and compositions and their uses in treating inflammatory and related disorders CCR1, MSR1, CCR2 ALDH1A1 742/4885HPGD 564/4885MAPT 3387/4885
US-20190269683-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 ALDH1A1 3524/4885HPGD 1850/4885MAPT 4883/4885
US-10758534-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 ALDH1A1 3524/4885HPGD 1850/4885MAPT 4883/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.