SCHEMBL2532155

SCHEMBL2532155

C[SiH](C)C(C)(C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
ALDH1A1 P00352 3/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ALOX15 P16050 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL22730218 0.83 MAPK1 (0.46) MAPK1CYP2C19HIF1AALDH1A1TAAR1
SCHEMBL22730227 0.79 MAPK1 (0.42) MAPK1CYP2C19HIF1AALDH1A1TAAR1
SCHEMBL10692727 0.76 MAPK1 (0.44) MAPK1CYP2C19HIF1AALDH1A1TAAR1
SCHEMBL835731 0.74 KCNN4 (0.42) MAPK1CYP2C19HIF1AALDH1A1TAAR1
SCHEMBL9390382 0.74 MAPK1 (0.43) MAPK1CYP2C19HIF1AALDH1A1TAAR1
SCHEMBL22319094 0.72 MAPK1 (0.41) MAPK1CYP2C19HIF1AALDH1A1TAAR1
SCHEMBL3107619 0.72 MAPK1 (0.46) MAPK1CYP2C19HIF1AALDH1A1TAAR1
SCHEMBL5613335 0.70 KCNN4 (0.39) MAPK1CYP2C19HIF1AALDH1A1TAAR1
SCHEMBL96177 0.69 MAPK1 (0.55) MAPK1CYP2C19HIF1AALDH1A1TAAR1
Tert-Butylbenzene SCHEMBL18889 0.69 MAPK1 (0.55) MAPK1CYP2C19HIF1AALDH1A1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1845078-B1 PROCESS FOR PRODUCING LARGE CYCLIC KETONE AND INTERMEDIATE THEREFOR TAKASAGO PERFUMERY CO LTD (JP) 2017-06-07 EP claimed
EP-0974582-B1 Process for the preparation of 4-substituted azetidinone derivatives TAKASAGO PERFUMERY CO LTD (JP) 2003-02-12 EP claimed
JP-4356505-A None JP disclosed
US-10294193-B2 Compound, and flavor composition and/or fragrance composition containing same TAKASAGO INTERNATIONAL CORPORATION (JP) 2019-05-21 US disclosed
EP-2966054-B1 METHOD OF PRODUCING OPTICALLY-ACTIVE ALDEHYDE TAKASAGO PERFUMERY CO LTD (JP) 2019-01-02 EP disclosed
US-10029969-B2 Method of producing optically-active aldehyde TAKASAGO INTERNATIONAL CORPORATION (JP) 2018-07-24 US disclosed
US-20170282169-A1 ALUMINUM CATALYST TAKASAGO INTERNATIONAL CORPORATION (JP) 2017-10-05 US disclosed
EP-1845078-B1 PROCESS FOR PRODUCING LARGE CYCLIC KETONE AND INTERMEDIATE THEREFOR TAKASAGO PERFUMERY CO LTD (JP) 2017-06-07 EP disclosed
EP-3153492-A1 NOVEL COMPOUND AND FRAGRANCE COMPOSITION CONTAINING SAME Takasago International Corporation (JP) 2017-04-12 EP disclosed
US-20170088503-A1 NOVEL COMPOUND, AND FLAVOR COMPOSITION AND/OR FRAGRANCE COMPOSITION CONTAINING SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2017-03-30 US disclosed
US-20160152550-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2,3-DIHYDROFARNESAL TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-06-02 US disclosed
EP-0632037-B1 Process for the production of 4-substituted azetidinone derivatives TANABE SEIYAKU CO (JP) 1997-10-01 EP disclosed
EP-0646568-A2 Tertiary butyl 4,4-bis(4'-hydroxyphenyl) pentanoate derivatives and positive resist materials containing the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 1995-04-05 EP disclosed
EP-0638552-A1 PROCESS FOR SYNTHESIZING 4-SUBSTITUTED AZETIDINONE DERIVATIVE SUNTORY LIMITED (JP) 1995-02-15 EP disclosed
EP-0632037-A1 Process for the production of 4-substituted azetidinone derivative TANABE SEIYAKU CO., LTD. (JP) 1995-01-04 EP disclosed
EP-0615163-A1 Onium salts and positive resist materials using the same Shin-Etsu Chemical Co., Ltd. (JP) 1994-09-14 EP disclosed
EP-0573667-A1 PROCESS FOR PRODUCING 4-SUBSTITUTED AZETIDINONE DERIVATIVE NIPPON SODA CO., LTD. (JP) 1993-12-15 EP disclosed
EP-0326640-B1 (1R,5S,6S)-2-SUBSTITUTED THIO-6 (R)-1-HYDROXYETHYL -1-METHYL-CARBAPENEM - CARBOXYLIC ACID DERIVATIVES LEDERLE (JAPAN) LTD. (JP) 1993-04-28 EP disclosed
JP-H04356505-A PRODUCTION OF POLY(HYDROXYSTYRENE) SHIN ETSU CHEM CO LTD 1992-12-10 JP disclosed
EP-0326640-A1 (1R,5S,6S)-2-substituted thio-6 (R)-1-hydroxyethyl -1-methyl-carbapenem - carboxylic acid derivatives LEDERLE (JAPAN) LTD. (JP) 1989-08-09 EP 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 (5 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-20170282169-A1 ALUMINUM CATALYST ACSL6, ACSL3, HACL2 MAPK1 3304/4885CYP2C19 1029/4885HIF1A 3146/4885
US-10029969-B2 Method of producing optically-active aldehyde ALDH3A1, ALDH1A2, ADH1A MAPK1 4176/4885CYP2C19 503/4885HIF1A 2714/4885
US-10294193-B2 Compound, and flavor composition and/or fragrance composition containing same FZD7, TAS1R1, TAS2R5 MAPK1 885/4885CYP2C19 1966/4885HIF1A 1315/4885
US-20170088503-A1 NOVEL COMPOUND, AND FLAVOR COMPOSITION AND/OR FRAGRANCE COMPOSITION CONTAINING SAME FZD7, TAS2R5, TAS2R40 MAPK1 1675/4885CYP2C19 2603/4885HIF1A 1710/4885
US-20160152550-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2,3-DIHYDROFARNESAL FNTB, FNTA, LSS MAPK1 1888/4885CYP2C19 1373/4885HIF1A 4610/4885

“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.