SCHEMBL1597634

SCHEMBL1597634

COc1c(C)cccc1C=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
ALDH1A1 P00352 4/20 0.56
TSHR P16473 2/20 0.56
SRC P12931 1/20 0.49
ERN1 O75460 3/20 0.48
TLR2 O60603 1/20 0.48
TLR1 Q15399 1/20 0.48
TLR6 Q9Y2C9 1/20 0.48
MCL1 Q07820 1/20 0.43
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
TRIM24 O15164 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL2787203 0.87 CA1 (0.73) CA1CA2ALDH1A1TSHRSRC
SCHEMBL5734075 0.83 CA1 (0.54) CA1CA2ALDH1A1TSHRSRC
SCHEMBL15183447 0.82 ALDH1A1 (0.54) CA1CA2ALDH1A1TSHRSRC
SCHEMBL11678596 0.82 ALDH1A1 (0.54) CA1CA2ALDH1A1TSHRSRC
SCHEMBL669820 0.81 CA1 (0.50) CA1CA2ALDH1A1TSHRSRC
SCHEMBL11120251 0.81 CA1 (0.51) CA1CA2ALDH1A1TSHRSRC
SCHEMBL188094 0.80 CA1 (0.65) CA1CA2ALDH1A1TSHRSRC
SCHEMBL2043979 0.80 PTPN1 (0.53) CA1CA2ALDH1A1TSHRSRC
SCHEMBL30385316 0.80 CA1 (0.59) CA1CA2ALDH1A1SRCERN1
SCHEMBL12771265 0.79 ALDH1A1 (0.47) CA1CA2ALDH1A1TSHRSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116867782-A Pyrazole amide derivative 豪夫迈·罗氏有限公司 2023-10-10 CN claimed
CN-113620919-A Mechanical ball-milling auxiliary synthesis method of 2-amino-3-cyano-4H-pyran compounds 浙江工业大学 2021-11-09 CN claimed
CN-105062468-A Fluorescent probe for detecting mercury ions and preparation method of fluorescent probe UNIV TSINGHUA 2015-11-18 CN claimed
JP-4587669-B2 2010-11-24 JP claimed
CN-101514212-A Pyridine-2''amino-2'-hydroxybenzene methanol phenylcarbinol boric acid ester compound and synthetic method thereof UNIV LIAONING (CN) 2009-08-26 CN claimed
JP-2005509662-A 2005-04-14 JP claimed
EP-1443915-A1 PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING OXY GROUP-BEARING AROMATIC ALDEHYDES Cutanix Corporation (US) 2004-08-11 EP claimed
US-20030124157-A1 Compositions containing aromatic aldehydes and their use in treatments ALLERGAN, INC. 2003-07-03 US claimed
WO-2003043621-A1 PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING OXY GROUP-BEARING AROMATIC ALDEHYDES CUTANIX CORPORATION (US) 2003-05-30 WO claimed
US-20260092045-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2026-04-02 US disclosed
EP-4626891-A1 FUSED PYRIMIDINES AS MASP-2 INHIBITORS Omeros Corporation (US) 2025-10-08 EP disclosed
EP-3947365-B1 SUBSTITUTED-N-HETEROARYL COMPOUNDS AND USES THEREOF BIONOMICS LTD (AU) 2025-10-01 EP disclosed
US-20250289789-A1 REVERSIBLE LYSINE COVALENT MODIFIERS OF CDK2 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. 2025-09-18 US disclosed
WO-2025090658-A2 REVERSIBLE LYSINE COVALENT MODIFIERS OF CDK2 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2025-05-01 WO disclosed
WO-2002062795-A9 DIHYDROPYRAZOLOPYRIDINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2002-10-10 WO disclosed
WO-2002062795-A2 DIHYDROPYRAZOLOPYRIDINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 WO disclosed
CN-1214042-A Carboxylic acid derivatives containing fused rings EISAI CO LTD (JP) 1999-04-14 CN disclosed
CN-1035813-C Chemical process ZENECA LTD (GB) 1997-09-10 CN disclosed
CN-1073934-A Novel method for synthesizing 2-hydroxy aromatic aldehyde compound ICI PLC (GB) 1993-07-07 CN disclosed
US-4444567-A ALKOXY BENZALDEHYDES, ALKOXY BENZOATES PHILLIPS PETROLEUM COMPANY (US) 1984-04-24 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-20250289789-A1 REVERSIBLE LYSINE COVALENT MODIFIERS OF CDK2 AND USES THEREOF CDK2, CDK20, CDK1 CA1 3057/4885CA2 2163/4885ALDH1A1 3042/4885
US-20030124157-A1 Compositions containing aromatic aldehydes and their use in treatments TYR, ALDH2, AOX1 CA1 3436/4885CA2 2843/4885ALDH1A1 4/4885
US-20260092045-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS TFPI, F3, BTK CA1 4145/4885CA2 2474/4885ALDH1A1 3179/4885

“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.