SCHEMBL12045263

SCHEMBL12045263

CCC(C)(C)c1cc2ccccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
AHR P35869 2/20 0.45
HPGD P15428 3/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
AOC3 Q16853 2/20 0.42
BRD4 O60885 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CASP3 P42574 1/20 0.40
KMT2A Q03164 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
FLT3 P36888 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
SCHEMBL18510248 0.86 KDM4E (0.44) KDM4EALDH1A1MAPTAHRHPGD
SCHEMBL7382230 0.84 LOXL2 (0.50) KDM4EALDH1A1MAPTAHRHPGD
SCHEMBL7029004 0.83 KDM4E (0.47) KDM4EALDH1A1MAPTAHRHPGD
SCHEMBL399327 0.80 AHR (0.50) KDM4EALDH1A1MAPTAHRHPGD
SCHEMBL30435112 0.80 AHR (0.50) KDM4EALDH1A1MAPTAHRHPGD
SCHEMBL1685392 0.80 AHR (0.50) KDM4EALDH1A1MAPTAHRHPGD
SCHEMBL8402930 0.80 AHR (0.51) KDM4EALDH1A1MAPTAHRHPGD
SCHEMBL22328554 0.80 KDM4E (0.45) KDM4EALDH1A1MAPTAHRHPGD
SCHEMBL20834689 0.77 KDM4E (0.47) KDM4EALDH1A1MAPTAHRHPGD
SCHEMBL18511095 0.77 DRD2 (0.42) KDM4EALDH1A1MAPTAHRHPGD

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037342-B2 Substituted eneoxindoles and uses thereof GILEAD SCIENCES, INC. (US) 2024-07-16 US disclosed
US-20230220007-A1 SETD7 EPIGENETIC MODULATORS BIORCHESTRA CO., LTD. (KR) 2023-07-13 US disclosed
US-20230183262-A1 SUBSTITUTED ENEOXINDOLES AND USES THEREOF GILEAD SCIENCES, INC. 2023-06-15 US disclosed
US-20220177947-A1 Compounds to Identify Beta-Lactamases, and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-06-09 US disclosed
US-20200392153-A1 SUBSTITUTED ENEOXINDOLES AND USES THEREOF GILEAD SCIENCES, INC. 2020-12-17 US disclosed
US-20190076419-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-03-14 US disclosed
US-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut INc. (US) 2011-12-08 US disclosed
US-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-06-05 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 (8 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-20230220007-A1 SETD7 EPIGENETIC MODULATORS SETD7, NSD1, PRMT7 KDM4E 80/4885ALDH1A1 4840/4885MAPT 2180/4885
US-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, SYK, LCK KDM4E 1767/4885ALDH1A1 3488/4885MAPT 4467/4885
US-20220177947-A1 Compounds to Identify Beta-Lactamases, and Methods of Use Thereof GUSB, GLB1, MGAM KDM4E 2730/4885ALDH1A1 627/4885MAPT 4481/4885
US-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 KDM4E 3826/4885ALDH1A1 328/4885MAPT 418/4885
US-20230183262-A1 SUBSTITUTED ENEOXINDOLES AND USES THEREOF HIPK1, HPGDS, HIPK3 KDM4E 2453/4885ALDH1A1 1940/4885MAPT 4296/4885
US-20190076419-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KDM4E 4235/4885ALDH1A1 1961/4885MAPT 4484/4885
US-12037342-B2 Substituted eneoxindoles and uses thereof HIPK1, HPGDS, HIPK3 KDM4E 2453/4885ALDH1A1 1940/4885MAPT 4296/4885
US-20200392153-A1 SUBSTITUTED ENEOXINDOLES AND USES THEREOF HIPK1, HPGDS, HIPK3 KDM4E 2453/4885ALDH1A1 1940/4885MAPT 4296/4885

“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.