Sugi Predict

Sugi Predict / Compounds / Styrene

Styrene

Styrene

SCHEMBL626802

C=Cc1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.70
▸ TSHR P16473 1/20 0.70
▸ TDP1 Q9NUW8 3/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ ESR1 P03372 2/20 0.46
▸ ESR2 Q92731 2/20 0.46
▸ TP53 P04637 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAOB P27338 2/20 0.36
▸ CYP2A6 P11509 1/20 0.36
▸ HDAC8 Q9BY41 2/20 0.36
▸ LMNA P02545 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ FBP1 P09467 1/20 0.32
▸ NFE2L2 Q16236 1/20 0.31
▸ CYP19A1 P11511 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ TRPA1 O75762 1/20 0.31
▸ ALOX5 P09917 1/20 0.31

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
Styrene SCHEMBL9959073 0.98 ALDH1A1 (0.67) ALDH1A1TSHRTDP1CYP3A4ESR1
Styrene SCHEMBL17332131 0.98 ALDH1A1 (0.67) ALDH1A1TSHRTDP1CYP3A4ESR1
Styrene SCHEMBL11164511 0.98 ALDH1A1 (0.67) ALDH1A1TSHRTDP1CYP3A4ESR1
Styrene SCHEMBL5588859 0.98 ALDH1A1 (0.67) ALDH1A1TSHRTDP1CYP3A4ESR1
Styrene SCHEMBL2907310 0.98 ALDH1A1 (0.67) ALDH1A1TSHRTDP1CYP3A4ESR1
SCHEMBL8035043 0.93 ALDH1A1 (0.59) ALDH1A1TSHRTDP1CYP3A4ESR1
SCHEMBL4112398 0.93 ALDH1A1 (0.59) ALDH1A1TSHRTDP1CYP3A4ESR1
SCHEMBL98719 0.93 ALDH1A1 (0.59) ALDH1A1TSHRTDP1CYP3A4ESR1
Styrene SCHEMBL29479256 0.91 ALDH1A1 (0.58) ALDH1A1TSHRTDP1CYP3A4ESR1
Bromide SCHEMBL8655216 0.91 ALDH1A1 (0.56) ALDH1A1TSHRTDP1CYP3A4ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105439901-B Preparation method of 2-cyano-4'-methyl biphenyl 浙江大学 2017-04-12 — — CN claimed
CN-105439901-A Preparation method of 2-cyano-4'-methyl biphenyl UNIV ZHEJIANG 2016-03-30 — — CN claimed
US-10647631-B2 Catalytic process for diene dimerization TOTAL RAFFINAGE CHIMIE (FR) 2020-05-12 — — US disclosed
EP-3245178-B1 CATALYTIC PROCESS FOR DIENE DIMERIZATION TOTAL RAFFINAGE CHIMIE (FR) 2019-08-07 — — EP disclosed
EP-2603079-B1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME (US) 2018-09-19 — — EP disclosed
EP-2721029-B1 IMIDAZOPYRIDIN-2-ONE DERIVATIVES MERCK SHARP & DOHME (US) 2018-07-18 — — EP disclosed
US-20180002251-A1 CATALYTIC PROCESS FOR DIENE DIMERIZATION TOTAL MARKETING SERVICES (FR) 2018-01-04 — — US disclosed
CN-107428631-A Catalysis process for diene dimerization 道达尔销售服务公司 2017-12-01 — — CN disclosed
EP-3245178-A1 CATALYTIC PROCESS FOR DIENE DIMERIZATION Total Marketing Services (FR) 2017-11-22 — — EP disclosed
US-20170296550-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2017-10-19 — — US disclosed
CN-105439901-B Preparation method of 2-cyano-4'-methyl biphenyl 浙江大学 2017-04-12 — — CN disclosed
US-20040259926-A1 3-Aryloxy and 3-heteroaryloxy substituted benzo[b]thiophenes as therapeutic agents BRUENDL MICHELLE M (US) 2004-12-23 — — US disclosed
WO-2004108715-A1 3-ARYLOXY AND 3-HETEROARYLOXY SUBSTITUTED BENZO(B) THIOPHENES AS THERAPEUTIC AGENTS WITH PI3K ACTIVITY WARNER-LAMBERT COMPANY LLC (US) 2004-12-16 — — WO disclosed
WO-2004108709-A1 TETRAZOL BENZOFURANCARBOXAMIDES WITH P13K AKTIVITY AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-12-16 — — WO disclosed
WO-2004108713-A1 CYCLOALKYL AND HETEROCYCLOALKYL SUBSTITUTED BENZOTHIOPHENES AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-12-16 — — WO disclosed
US-6828344-B1 Direct inhibition of the activity of phospholipase A2 has been suggested as a useful mechanism for a therapeutic agent for inflammation GENETICS INSTITUTE, LLC 2004-12-07 — — US disclosed
EP-1480975-A2 CHEMICAL COMPOUNDS Astrazeneca AB (SE) 2004-12-01 — — EP disclosed
CN-1492874-A Macrolide antibiotics — 2004-04-28 — — CN disclosed
WO-2003072576-A2 OXAZOLIDINONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2003-09-04 — — WO disclosed
WO-2003072575-A1 3-CYCLYL-5-(NITROGEN-CONTAINING 5-MEMBERED RING) METHYL-OXAZOLIDINONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2003-09-04 — — WO 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 (4 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-20180002251-A1 CATALYTIC PROCESS FOR DIENE DIMERIZATION DUOX1, HPD, DDT ALDH1A1 1462/4885TSHR 3570/4885TDP1 607/4885
US-20170296550-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS RORC, RORA, RORB ALDH1A1 286/4885TSHR 273/4885TDP1 4584/4885
US-10647631-B2 Catalytic process for diene dimerization DUOX1, HPD, DDT ALDH1A1 1462/4885TSHR 3570/4885TDP1 607/4885
US-20040259926-A1 3-Aryloxy and 3-heteroaryloxy substituted benzo[b]thiophenes as therapeutic agents MALT1, CYP1B1, CYP4B1 ALDH1A1 110/4885TSHR 910/4885TDP1 1842/4885

“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.