SCHEMBL9906397

SCHEMBL9906397

CCS(=O)(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
PSIP1 O75475 2/20 0.54
GAA P10253 2/20 0.54
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
LMNA P02545 3/20 0.53
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
MAPT P10636 3/20 0.50
POLB P06746 1/20 0.50
RECQL P46063 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD11B1 P28845 1/20 0.47
RORC P51449 1/20 0.47
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
GMNN O75496 1/20 0.46
HPGD P15428 1/20 0.46
DRD1 P21728 1/20 0.46

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
SCHEMBL13761763 0.94 ALDH1A1 (0.53) ALDH1A1PSIP1GAACA1CA2
SCHEMBL3256579 0.86 ALDH1A1 (0.59) ALDH1A1GAACA1CA2LMNA
SCHEMBL18531400 0.85 ALDH1A1 (0.54) ALDH1A1GAACA1CA2LMNA
SCHEMBL753955 0.83 ALDH1A1 (0.55) ALDH1A1GAACA1CA2LMNA
SCHEMBL14495880 0.83 ALDH1A1 (0.57) ALDH1A1GAACA1CA2LMNA
SCHEMBL11451717 0.83 ALDH1A1 (0.55) ALDH1A1GAACA1CA2LMNA
SCHEMBL10180558 0.83 PSIP1 (0.50) ALDH1A1PSIP1GAACA1CA2
SCHEMBL10455034 0.83 PSIP1 (0.74) ALDH1A1PSIP1GAACA2LMNA
SCHEMBL12013127 0.80 RORC (0.54) PSIP1GAACA1CA2HSD11B1
SCHEMBL10179515 0.79 ALDH1A1 (0.52) ALDH1A1GAACA1CA2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858879-B2 PARG inhibitors and method of use thereof CITY OF HOPE (US) 2024-01-02 US disclosed
US-20220002231-A1 PARG INHIBITORS AND METHOD OF USE THEREOF CITY OF HOPE 2022-01-06 US disclosed
US-20200231597-A1 BICYLIC COMPOUND ACTING AS AN INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-07-23 US disclosed
US-20190106460-A1 BINDING INHIBITORS OF THE BETA. TRANSDUCIN REPEAT-CONTAINING PROTEIN BRADLEY MARK (GB) 2019-04-11 US disclosed
US-10005732-B2 Potent non-urea inhibitors of soluble epoxide hydrolase THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-06-26 US disclosed
US-9914702-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2018-03-13 US disclosed
US-9828364-B2 Pyrazole compounds as BTK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-11-28 US disclosed
US-9828364-B2 Pyrazole compounds as BTK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-11-28 US disclosed
US-20170291910-A1 NOVEL COMPOUNDS AS GPR119 AGONISTS MANKIND PHARMA LTD. (IN) 2017-10-12 US disclosed
US-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS, LTD (AU) 2017-03-30 US disclosed
US-20120219866-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 US disclosed
EP-2475041-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE BATTERY COMPRISING SAME Mitsubishi Chemical Corporation (JP) 2012-07-11 EP disclosed
US-8198273-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-06-12 US disclosed
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US disclosed
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON, INC. 2010-11-11 US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
US-4260552-A INSECTICIDES, HERBICIDES UNIROYAL, INC. (US) 1981-04-07 US disclosed
US-4160846-A Method for controlling insects with tetrasubstituted organotin compounds UNIROYAL, INC. (US) 1979-07-10 US disclosed
US-3976672-A INSECTICIDE UNIROYAL INC. (US) 1976-08-24 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 (10 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-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT1, DGAT2, GPR119 ALDH1A1 314/4885PSIP1 3743/4885GAA 171/4885
US-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS KCNA3, KCNH3, KCNK3 ALDH1A1 3267/4885PSIP1 3347/4885GAA 4016/4885
US-20220002231-A1 PARG INHIBITORS AND METHOD OF USE THEREOF PARG, PARP12, PARP15 ALDH1A1 1104/4885PSIP1 2095/4885GAA 232/4885
US-20170291910-A1 NOVEL COMPOUNDS AS GPR119 AGONISTS GPR119, GPR84, GPR65 ALDH1A1 1682/4885PSIP1 4180/4885GAA 3645/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 ALDH1A1 303/4885PSIP1 3647/4885GAA 163/4885
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor BRAF, ARAF, RAF1 ALDH1A1 999/4885PSIP1 3027/4885GAA 2990/4885
US-20200231597-A1 BICYLIC COMPOUND ACTING AS AN INHIBITOR RORC, RORB, RORA ALDH1A1 572/4885PSIP1 3083/4885GAA 3574/4885
US-20190106460-A1 BINDING INHIBITORS OF THE BETA. TRANSDUCIN REPEAT-CONTAINING PROTEIN TARDBP, DDB1, EPS15 ALDH1A1 4636/4885PSIP1 3511/4885GAA 937/4885
US-11858879-B2 PARG inhibitors and method of use thereof PARG, PARP12, PARP15 ALDH1A1 1104/4885PSIP1 2095/4885GAA 232/4885
US-10005732-B2 Potent non-urea inhibitors of soluble epoxide hydrolase EPHX1, EPHX2, ECE1 ALDH1A1 531/4885PSIP1 3017/4885GAA 2234/4885

“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.