SCHEMBL6575628

SCHEMBL6575628

Cc1cc(C)cc(NC(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.42
NPSR1 Q6W5P4 2/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.36
THRB P10828 2/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 2/20 0.33
CA2 P00918 1/20 0.33
POLB P06746 1/20 0.33
TYR P14679 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL29030467 0.97 RAPGEF4 (0.41) RAPGEF4NPSR1HTTMAPTGAA
SCHEMBL16564657 0.94 RAPGEF4 (0.37) RAPGEF4NPSR1HTTMAPTGAA
SCHEMBL16564651 0.84 POLB (0.37) RAPGEF4ALDH1A1TSHRCA2POLB
SCHEMBL12764927 0.84 RAPGEF4 (0.44) RAPGEF4GAAALDH1A1LMNANPC1
SCHEMBL12135857 0.84 RAPGEF4 (0.44) RAPGEF4NPSR1GAAALDH1A1THRB
SCHEMBL12203150 0.82 SMN1; SMN2 (0.32) MAPTLMNASMN1; SMN2
SCHEMBL17036634 0.80 RAPGEF4 (0.50) RAPGEF4MAPTALDH1A1SMN1; SMN2
SCHEMBL8248072 0.75 MAPT (0.54) NPSR1HTTMAPTGAAALDH1A1
SCHEMBL21571870 0.74 SLC22A12 (0.42) MAPTNPC1
SCHEMBL5983235 0.72 NPC1 (0.48) RAPGEF4NPSR1HTTMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018121-B2 (Poly)alkylene glycol-containing compound NIPPON SHOKUBAI CO., LTD. (JP) 2024-06-25 US disclosed
US-20220073678-A1 (POLY)ALKYLENE GLYCOL-CONTAINING COMPOUND NIPPON SHOKUBAI CO., LTD. (JP) 2022-03-10 US disclosed
EP-3892666-A1 (POLY)ALKYLENE GLYCOL-CONTAINING COMPOUND Nippon Shokubai Co., Ltd. (JP) 2021-10-13 EP disclosed
WO-2020116549-A1 (POLY)ALKYLENE GLYCOL-CONTAINING COMPOUND 株式会社日本触媒 2020-06-11 WO disclosed
WO-2020116550-A1 (POLY)ALKYLENE GLYCOL-CONTAINING COMPOUND 株式会社日本触媒 2020-06-11 WO disclosed
US-10479793-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses BRISTOL-MYERS SQUIBB COMPANY (US) 2019-11-19 US disclosed
US-10035790-B2 RORγ modulators EXELIXIS, INC. (US) 2018-07-31 US disclosed
EP-2940000-B1 PROCESS FOR PREPARING METHYL ACETATE DALIAN INST CHEMICAL PHYSICS CAS (CN) 2017-10-18 EP disclosed
US-9440226-B2 Method for preparing methyl acetate DALIAN INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2016-09-13 US disclosed
US-20160096819-A1 PROCESS FOR PREPARING N-SUBSTITUTED 1H-PYRAZOLE-5-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF BASF SE (DE) 2016-04-07 US disclosed
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-02-19 US disclosed
US-7297695-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-20 US disclosed
EP-1080084-B1 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS DOW GLOBAL TECHNOLOGIES INC (US) 2004-05-06 EP disclosed
US-6462213-B1 A THREE COORDINATE, LOW OXIDATION STATE TRANSITION METAL COMPLEX CAPABLE OF GEREATING AMMONIA FROM DINITROGEN UNDER SUBSTANTIALLY ATMOSPHERIC PRESSURES MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2002-10-08 US disclosed
CN-1303382-A Epoxidation process for aryl allyl ethers DOW CHEMICAL CO (US) 2001-07-11 CN disclosed
EP-1080084-A2 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS THE DOW CHEMICAL COMPANY (US) 2001-03-07 EP disclosed
US-6117407-A Method for the generation of ammonia MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2000-09-12 US disclosed
US-6087513-A REACTION OF ALLYL ARYL ETHER WITH HYDROGEN PEROXIDE IN THE PRESENCE OF TRANSITION METALS FOR OXIDATION THE DOW CHEMICAL COMPANY (US) 2000-07-11 US disclosed
US-6037459-A Dinitrogen cleavage MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2000-03-14 US disclosed
WO-1999062894-A2 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS THE DOW CHEMICAL COMPANY (US) 1999-12-09 WO 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 (4 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-10035790-B2 RORγ modulators RORB, RORA, RORC RAPGEF4 1512/4885NPSR1 88/4885HTT 4137/4885
US-10479793-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses TYK2, IL2, JAK3 RAPGEF4 3690/4885NPSR1 3655/4885HTT 4170/4885
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 RAPGEF4 677/4885NPSR1 764/4885HTT 1673/4885
US-20160096819-A1 PROCESS FOR PREPARING N-SUBSTITUTED 1H-PYRAZOLE-5-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF CA3, CA2, CA1 RAPGEF4 1530/4885NPSR1 2848/4885HTT 4172/4885

“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.