SCHEMBL5678308

SCHEMBL5678308

CCc1ccc(O)c(O)c1C

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.46
▸ GABRB2 P47870 1/20 0.46
▸ TYR P14679 1/20 0.46
▸ PRKCI P41743 1/20 0.41
▸ ESR1 P03372 3/20 0.41
▸ ESR2 Q92731 3/20 0.41
▸ MAOB P27338 1/20 0.39
▸ BACE1 P56817 1/20 0.38
▸ TRPA1 O75762 1/20 0.38
▸ AMY1A P0DUB6 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36

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
SCHEMBL30597484 0.83 TYR (0.47) GABRA1GABRB2TYRPRKCIESR1
SCHEMBL23919938 0.83 AMY1A (0.47) TYRESR1ESR2TRPA1AMY1A
SCHEMBL4888228 0.83 TYR (0.47) GABRA1GABRB2TYRPRKCIESR1
SCHEMBL5195485 0.82 TYR (0.52) TYRPRKCI
SCHEMBL31620170 0.81 GABRA1 (0.46) GABRA1GABRB2TYRPRKCITRPA1
SCHEMBL70108 0.81 TYR (0.60) GABRA1GABRB2TYRPRKCIESR1
SCHEMBL7623340 0.81 GABRA1 (0.46) GABRA1GABRB2TYRPRKCITRPA1
SCHEMBL27810457 0.81 TYR (0.41) TYRTRPA1AMY1A
SCHEMBL2475390 0.80 GABRA1 (0.56) GABRA1GABRB2PRKCIESR1ESR2
SCHEMBL29719025 0.80 GABRA1 (0.56) GABRA1GABRB2PRKCIESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102040495-A Method for synthesizing vanillin by using glyoxylic acid and guaiacol together TIANJIN PROFESSIONAL COLLEGE 2011-05-04 — — CN claimed
CN-103275808-A Mixed-type oily beef essence and preparation method thereof TIANJIN CHUNYU FOOD INGREDIENTS CO LTD 2013-09-04 — — CN disclosed
CN-103261181-A Derivatives of epichlorohydrin of natural origin SOLVAY 2013-08-21 — — CN disclosed
CN-102040495-A Method for synthesizing vanillin by using glyoxylic acid and guaiacol together TIANJIN PROFESSIONAL COLLEGE 2011-05-04 — — CN disclosed
US-20060036049-A1 Soluble late transition metal catalysts for olefin oligomerizations III ZHAO BAIYI 2006-02-16 — — US disclosed
EP-1620447-A1 SOLUBLE LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS III Exxonmobil Chemical Patents Inc. (US) 2006-02-01 — — EP disclosed
WO-2003102006-A1 SOLUBLE LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS III EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-12-11 — — 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 (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-20060036049-A1 Soluble late transition metal catalysts for olefin oligomerizations III COMT, CD69, SPR GABRA1 3633/4885GABRB2 3569/4885TYR 275/4885

“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.

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