SCHEMBL16274

SCHEMBL16274

C[C](C)CCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.67
KEAP1 Q14145 1/20 0.58
FFAR1 O14842 1/20 0.54
TDP1 Q9NUW8 3/20 0.52
HDAC2 Q92769 3/20 0.50
HDAC8 Q9BY41 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
KDM4E B2RXH2 2/20 0.50
RECQL P46063 1/20 0.48
KMT2A Q03164 1/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
MAPK1 P28482 1/20 0.48
ADRA1A P35348 1/20 0.48

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
SCHEMBL1478009 0.85 HDAC1 (0.61) ALDH1A1TDP1HDAC2HDAC8HDAC6
SCHEMBL7441543 0.84 ALDH1A1 (0.67) ALDH1A1KEAP1FFAR1TDP1HDAC2
SCHEMBL10530175 0.84 ALDH1A1 (0.67) ALDH1A1KEAP1FFAR1TDP1HDAC2
SCHEMBL6164475 0.83 MAPT (0.61) ALDH1A1HDAC2HDAC8HDAC6HDAC1
SCHEMBL9765869 0.83 ALDH1A1 (0.64) ALDH1A1KEAP1FFAR1TDP1HDAC2
SCHEMBL8123200 0.81 MAPT (0.64) ALDH1A1HDAC2HDAC8HDAC6HDAC1
SCHEMBL7864099 0.81 MAPT (0.64) ALDH1A1HDAC2HDAC8HDAC6HDAC1
SCHEMBL8108303 0.81 MAPT (0.64) ALDH1A1HDAC2HDAC8HDAC6HDAC1
SCHEMBL2163306 0.80 ALDH1A1 (0.61) ALDH1A1KEAP1FFAR1TDP1HDAC2
SCHEMBL9876476 0.80 ALDH1A1 (0.61) ALDH1A1KEAP1FFAR1TDP1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116278060-A Epoxy vinyl glass fiber reinforced plastic wedge-shaped strip, preparation method and preparation system thereof 北京玻钢院复合材料有限公司 2023-06-23 CN claimed
EP-3493814-A1 LIPID-SUBSTITUTED AMINO 1,2-AND 1,3-DIOL COMPOUNDS AS MODULATORS OF TLR2 DIMERIZATION Neuropore Therapies, Inc. (US) 2019-06-12 EP claimed
CN-109574972-A A kind of 3- alkyl substitution -4- chromanone compound and preparation method thereof 郑州大学 2019-04-05 CN claimed
US-10221146-B2 Tetrahydronaphthyridine, benzoxazine, aza-benzoxazine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease LYCERA CORPORATION (US) 2019-03-05 US claimed
WO-2018026866-A1 LIPID-SUBSTITUTED AMINO 1,2-AND 1,3-DIOL COMPOUNDS AS MODULATORS OF TLR2 DIMERIZATION NEUROPORE THERAPIES, INC. (US) 2018-02-08 WO claimed
US-20180030005-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2018-02-01 US claimed
CN-105585511-B (R) preparation method of N tertbutyloxycarbonyls biphenyl Propanolamine 浙江大学 2017-05-31 CN claimed
CN-105585511-A Preparation method of (R)-N-t-butyloxycarboryl biphenyl alaninol UNIV ZHEJIANG 2016-05-18 CN claimed
CN-105367611-A Olefin high-temperature polymerization metallocene catalyst and preparation method thereof and application of olefin high-temperature polymerization metallocene catalyst in olefin polymerization UNIV EAST CHINA SCIENCE & TECH 2016-03-02 CN claimed
CN-104024232-A NOVEL PYRAZINE DERIVATIVES HOFFMANN LA ROCHE 2014-09-03 CN claimed
EP-1125929-A1 Method for making (-)-(2R,4S)-4-[(3,5-bis-trifluoromethyl-benzyl)-methoxycarbonylamino]-2-ethyl-6-trifluoromethyl-3,4-dihydro-2H-quinoline-1-carboxylic acid ethyl ester Pfizer Products Inc. (US) 2001-08-22 EP claimed
EP-1021424-A1 THIADIAZOLE AMIDE MMP INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 2000-07-26 EP claimed
US-5830869-A METALLOPROTEASE INHIBITOR PHARMACIA & UPJOHN COMPANY 1998-11-03 US claimed
WO-1997048688-A1 THIADIAZOLE AMIDE MMP INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1997-12-24 WO claimed
EP-0586418-A1 SUBSTITUTED TRIAZOLINONES BAYER AG (DE) 1994-03-16 EP claimed
US-5276008-A Herbicides and plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1994-01-04 US claimed
WO-1992020663-A1 SUBSTITUTED TRIAZOLINONES BAYER AKTIENGESELLSCHAFT (DE) 1992-11-26 WO claimed
EP-0502307-A2 Substituted 4,5-diamino-1,2,4-triazol-3-(thi)ones BAYER AG (DE) 1992-09-09 EP claimed
EP-0002792-A1 3-Aminopropoxyaryl derivatives, their preparation and pharmaceutical compositions containing them SANDOZ AG (CH) 1979-07-11 EP claimed
US-4101579-A Phenethanolamine ethers ALLEN & HANBURYS LIMITED (GB) 1978-07-18 US claimed

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

For each of this compound's patents that has machine-readable text (2 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-20180030005-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORB, RORA, RORC ALDH1A1 696/4885KEAP1 2776/4885FFAR1 1789/4885
US-10221146-B2 Tetrahydronaphthyridine, benzoxazine, aza-benzoxazine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease RORB, RORA, RORC ALDH1A1 722/4885KEAP1 2796/4885FFAR1 1877/4885

“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.