Sugi Predict

Sugi Predict / Compounds / SCHEMBL523309

SCHEMBL523309

SCHEMBL523309

CC=C(C)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 2/20 0.48
▸ CES2 O00748 1/20 0.48
▸ AKR1B1 P15121 1/20 0.48
▸ TSHR P16473 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ FNTA P49354 1/20 0.40
▸ FNTB P49356 1/20 0.40
▸ NOS2 P35228 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ CALM1 P0DP23 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL27522721 0.83 CES1 (0.46) CES1CES2AKR1B1TSHRTP53
SCHEMBL3937723 0.83 CES1 (0.46) CES1CES2AKR1B1TSHRTP53
SCHEMBL6155435 0.83 CES1 (0.46) CES1CES2AKR1B1TSHRTP53
SCHEMBL11034645 0.81 CES1 (0.44) CES1CES2AKR1B1TSHRTP53
SCHEMBL1586708 0.81 CES1 (0.44) CES1CES2AKR1B1TSHRTP53
SCHEMBL11034643 0.81 CES1 (0.44) CES1CES2AKR1B1TSHRTP53
SCHEMBL95525 0.81 CES1 (0.50) CES1CES2AKR1B1TSHRALDH1A1
SCHEMBL140663 0.81 CES1 (0.44) CES1CES2AKR1B1TSHRTP53
SCHEMBL95524 0.81 CES1 (0.50) CES1CES2AKR1B1TSHRALDH1A1
SCHEMBL11074864 0.79 CES1 (0.43) CES1CES2AKR1B1TSHRTP53

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104877557-B High index of refraction selfreparing blast coating composition 上海乘鹰新材料有限公司 2017-10-17 — — CN claimed
CN-106065003-A Sorbitol derivatives and its synthetic dbs kinds of polyolefin nucleating agent and its preparation method and application thereof 苏州亚培克生物科技有限公司 2016-11-02 — — CN claimed
CN-114806869-A Culture dish and application thereof in preparing cell film 深圳市碳源生物科技有限公司 2022-07-29 — — CN disclosed
CN-107987737-A A kind of UV pressure-sensitive adhesives mixture and its preparation method and application 广州瀚东新材料科技有限公司 2018-05-04 — — CN disclosed
CN-106062009-B Cured film forms and uses composition, oriented material and phase difference material 日产化学工业株式会社 2018-03-27 — — CN disclosed
EP-2415741-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2012-02-08 — — EP disclosed
EP-2415742-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR Sumitomo Chemical Company, Limited (JP) 2012-02-08 — — EP disclosed
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 — — US disclosed
US-20120010417-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-12 — — US disclosed
EP-1461041-A4 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES PHARMASSET LTD (BB) 2006-03-29 — — EP disclosed
US-6989036-B2 Reactive dyes and use thereof for dyeing substrates containing nucleophilic groups BASF AKTIENGELLSCHAFT (DE) 2006-01-24 — — US disclosed
EP-1461041-A2 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES Pharmasset Ltd. (BB) 2004-09-29 — — EP disclosed
US-20040102616-A1 Novel reactive dyes and use thereof for dyeing substrates containing nucleophilic groups BASF AKTIENGESELLSCHAFT (DE) 2004-05-27 — — US disclosed
EP-1392777-A1 NOVEL REACTIVE DYES AND USE THEREOF FOR DYEING SUBSTRATES CONTAINING NUCLEOPHILIC GROUPS BASF AKTIENGESELLSCHAFT (DE) 2004-03-03 — — EP disclosed
WO-2003051298-A2 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES PHARMASSET LTD. (BB) 2003-06-26 — — WO disclosed
WO-2002088257-A1 NOVEL REACTIVE DYES AND USE THEREOF FOR DYEING SUBSTRATES CONTAINING NUCLEOPHILIC GROUPS BASF AKTIENGESELLSCHAFT (DE) 2002-11-07 — — WO disclosed
CN-1028174-C Process and intermediates for preparing compounds having disubstituted acetylene moiety and retinoic acid-like biological activity ALLERGAN INC (US) 1995-04-12 — — CN disclosed
CN-1050385-A Preparation has bioactive method and the intermediate that has the compound of disubstituted acetylene moiety of retinoic acid-like ALLERGAN INC (US) 1991-04-03 — — CN disclosed
US-3946081-A OXIDATION CATALYSTS, GROUP V, VI, OR VII OXIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-03-23 — — 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 (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-20120010417-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND ADH1A, ADH1C, ADH5 CES1 981/4885CES2 246/4885AKR1B1 355/4885
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR ADH1A, ADH1C, ADH5 CES1 235/4885CES2 609/4885AKR1B1 133/4885

“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.