SCHEMBL3035376

SCHEMBL3035376

[CH]=C(C)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.50
CES2 O00748 1/20 0.50
AKR1B1 P15121 1/20 0.50
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
NOS2 P35228 1/20 0.41
CALM1 P0DP23 1/20 0.41
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CTBP2 P56545 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL66721 0.78 CES1 (0.55) CES1CES2AKR1B1TSHRTP53
SCHEMBL2792481 0.78 CES1 (0.55) CES1CES2AKR1B1TSHRTP53
SCHEMBL57392 0.78 CES1 (0.55) CES1CES2AKR1B1TSHRTP53
Ammonia Solution, Strong SCHEMBL28157017 0.76 CES1 (0.52) CES1CES2AKR1B1TSHRTP53
SCHEMBL28774551 0.76 CES1 (0.52) CES1CES2AKR1B1TSHRTP53
SCHEMBL8668318 0.75 ALDH1A1 (0.61) ALDH1A1KMT2AHDAC8HDAC6MAPK1
SCHEMBL5540928 0.75 TDP1 (0.44) TP53KMT2AMAPK1TDP1CTBP2
Benzene SCHEMBL3421936 0.74 CES1 (0.64) CES1CES2AKR1B1TSHRALDH1A1
Benzene SCHEMBL7058395 0.74 CES1 (0.64) CES1CES2AKR1B1TSHRALDH1A1
Benzene SCHEMBL10503945 0.74 CES1 (0.64) CES1CES2AKR1B1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103880761-B The method of one pot process 4 (3H)-Quinazol derivative is eliminated by cyclization TIANJIN UNIVERSITY (CN) 2015-07-29 CN claimed
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
EP-3022199-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2016-05-25 EP disclosed
CN-103880761-B The method of one pot process 4 (3H)-Quinazol derivative is eliminated by cyclization TIANJIN UNIVERSITY (CN) 2015-07-29 CN disclosed
WO-2015008872-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-22 WO disclosed
US-8552188-B2 Epoxy compound and method for manufacturing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
US-20130072683-A1 EPOXY COMPOUND AND METHOD FOR MANUFACTURING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-21 US disclosed
US-8344148-B2 Epoxy compound and method for manufacturing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-01 US disclosed
WO-2008140090-A1 EPOXY COMPOUND AND METHOD FOR MANUFACTURING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-11-20 WO disclosed
EP-0717736-A4 POLAR-SUBSTITUTED HYDROCARBONS NARHEX LTD (HK) 1996-08-28 EP disclosed
EP-0717736-A1 POLAR-SUBSTITUTED HYDROCARBONS NARHEX LIMITED (HK) 1996-06-26 EP disclosed
WO-1995007269-A1 POLAR-SUBSTITUTED HYDROCARBONS NARHEX LIMITED (HK) 1995-03-16 WO disclosed
US-4282238-A IMIDAZOLES BASF AKTIENGESELLSCHAFT (DE) 1981-08-04 US disclosed
US-3987087-A ANTI-ULCER, NASAL PATENCY, WOUND HEALING, LABOR INDUCEMENT THE UPJOHN COMPANY (US) 1976-10-19 US disclosed
US-3983157-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1976-09-28 US disclosed
US-3983158-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1976-09-28 US disclosed
US-3980694-A ANTIULCER, ANTIAGGLOMERANTS, INCREASE OF NASAL PATENCY, LABOR INDUCEMENT, WOUND HEALINGPROSTAGLANDINS THE UPJOHN COMPANY (US) 1976-09-14 US disclosed
US-3931289-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1976-01-06 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 (3 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 CES1 87/4885CES2 314/4885AKR1B1 368/4885
US-20130072683-A1 EPOXY COMPOUND AND METHOD FOR MANUFACTURING THE SAME SQLE, CYP2E1, CYP1A1 CES1 304/4885CES2 814/4885AKR1B1 296/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 CES1 87/4885CES2 314/4885AKR1B1 368/4885

“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.