SCHEMBL493731

SCHEMBL493731

COC(=O)CCC=C(C)C

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
POLB P06746 1/20 0.52
ALDH1A1 P00352 3/20 0.48
ALOX15 P16050 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ATM Q13315 1/20 0.48
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.45
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
FNTA P49354 2/20 0.43
FNTB P49356 2/20 0.43
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL28052471 0.92 KMT2A (0.61) POLBALDH1A1ALOX15KDM4EATM
SCHEMBL10916255 0.92 KMT2A (0.61) POLBALDH1A1ALOX15KDM4EATM
SCHEMBL17554314 0.92 KMT2A (0.61) POLBALDH1A1ALOX15KDM4EATM
SCHEMBL10916246 0.92 KMT2A (0.61) POLBALDH1A1ALOX15KDM4EATM
SCHEMBL11215304 0.92 KMT2A (0.61) POLBALDH1A1ALOX15KDM4EATM
SCHEMBL5321097 0.92 KMT2A (0.61) POLBALDH1A1ALOX15KDM4EATM
SCHEMBL27948186 0.86 TSHR (0.58) TSHRPOLBALDH1A1ALOX15KDM4E
SCHEMBL9580059 0.86 ALOX15 (0.55) POLBALDH1A1ALOX15KDM4EATM
SCHEMBL9580063 0.86 ALOX15 (0.55) POLBALDH1A1ALOX15KDM4EATM
SCHEMBL5883708 0.85 ALDH1A1 (0.60) TSHRALDH1A1ALOX15KDM4EATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112573996-B Preparation method of optically active menthol 万华化学集团股份有限公司 2022-07-12 CN claimed
CN-1075804-C Process for 2,5-di(1,1-dimethyl-4-hexoxygen carbobutyl) hydroquinone CIBA GEIGY AG (CH) 2001-12-05 CN claimed
CN-112204192-B Reinforcing fiber, method for producing same, and molded article using same 株式会社可乐丽 2023-12-01 CN disclosed
CN-115246901-A Preparation method of olefin-unsaturated carboxylic ester copolymer and copolymer 中国石油化工股份有限公司 2022-10-28 CN disclosed
CN-112573996-B Preparation method of optically active menthol 万华化学集团股份有限公司 2022-07-12 CN disclosed
CN-112573996-A Preparation method of optically active menthol 万华化学集团股份有限公司 2021-03-30 CN disclosed
CN-106008210-A Method for synthesizing lambda cyhalthrin acid by using loop reactor 无锡青苹果工程勘察设计院 2016-10-12 CN disclosed
US-8541606-B2 Tertiary alcohol derivative, polymer compound and photoresist composition KURARAY CO., LTD. (JP) 2013-09-24 US disclosed
US-8541606-B2 Tertiary alcohol derivative, polymer compound and photoresist composition KURARAY CO., LTD. (JP) 2013-09-24 US disclosed
US-20120149921-A1 TERTIARY ALCOHOL DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION KURARAY CO., LTD. (JP) 2012-06-14 US disclosed
US-20120149921-A1 TERTIARY ALCOHOL DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION KURARAY CO., LTD. (JP) 2012-06-14 US disclosed
EP-0059756-B1 7-OXOPROSTACYCLIN DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SCHERING AKTIENGESELLSCHAFT (DE) 1985-08-28 EP disclosed
US-4489092-A Prostanoic acid derivatives and their preparation SCHERING AKTIENGESELLSCHAFT (DE) 1984-12-18 US disclosed
US-4466969-A 7-Oxoprostacyclin derivatives and their use as hypotensives and bronchodilators SCHERING AKTIENGESELLSCHAFT (DE) 1984-08-21 US disclosed
EP-0106799-A1 Phenols and their preparation CIBA-GEIGY AG (CH) 1984-04-25 EP disclosed
US-4359467-A Prostanoic acid derivatives and their preparation SCHERING AKTIENGESELLSCHAFT (DE) 1982-11-16 US disclosed
EP-0059756-A1 7-OXOPROSTACYCLIN DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF. SCHERING AG (DE) 1982-09-15 EP disclosed
WO-1982001002-A1 7-OXOPROSTACYCLIN DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF NICKOLSON R 1982-04-01 WO disclosed
US-4284646-A Prostanoic acid derivatives and their preparation SCHERING AKTIENGESELLSCHAFT (DE) 1981-08-18 US disclosed
US-4220798-A 19-Methyl-9-keto-15-hydroxy-prost-18-enoic acid derivatives and process of their preparation SCOLASTICO CAROL (IT) 1980-09-02 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 (1 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-20120149921-A1 TERTIARY ALCOHOL DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION ADH1A, ADH1C, ADH5 TSHR 1388/4885POLB 659/4885ALDH1A1 66/4885

“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.