SCHEMBL3976211

SCHEMBL3976211

O=Cc1ccc(Cc2ccc(C=O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.52
HSD17B10 Q99714 1/20 0.52
ALDH5A1 P51649 1/20 0.52
ABAT P80404 1/20 0.52
ALDH1A1 P00352 7/20 0.50
ALDH1A3 P47895 2/20 0.48
ALDH3A1 P30838 1/20 0.48
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TYR P14679 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP2A13 Q16696 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP3A4 P08684 2/20 0.44
TSHR P16473 2/20 0.44
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL2222928 0.89 ALDH1A1 (0.62) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL10331742 0.87 ABAT (0.76) CYP2A6ALDH5A1ABATALDH1A1MAPT
SCHEMBL20546774 0.87 CYP2A6 (0.76) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL9607165 0.87 KMT2A (0.61) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL24197431 0.87 CYP2A6 (0.42) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL24197429 0.87 HDAC8 (0.56) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL371285 0.87 ALDH1A1 (0.67) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL10068137 0.85 ALDH1A1 (0.59) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL8807737 0.85 POLB (0.52) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL5429778 0.85 CYP2A6 (0.50) CYP2A6HSD17B10ALDH5A1ABATALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3970579-A Low melting liquid-crystal mixtures OWENS-ILLINOIS, INC. (US) 1976-07-20 US claimed
WO-2021142474-A1 COVALENT ORGANIC FRAMEWORKS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-07-15 WO disclosed
CN-110229257-B Polymerizable monomer, curable composition, and resin member 德山齿科株式会社 2021-07-06 CN disclosed
CN-112876944-A Flame-retardant fireproof coiled material 邓万菁 2021-06-01 CN disclosed
EP-3187514-B1 POLYMERIZABLE MONOMER, CURABLE COMPOSITION AND RESIN MEMBER TOKUYAMA DENTAL CORP (JP) 2020-07-29 EP disclosed
US-20190300472-A1 POLYMERIZABLE MONOMER, METHOD OF PRODUCING POLYMERIZABLE MONOMER, CURABLE COMPOSITION AND RESIN MEMBER TOKUYAMA DENTAL CORPORATION (JP) 2019-10-03 US disclosed
EP-3187514-A1 POLYMERIZABLE MONOMER, CURABLE COMPOSITION AND RESIN MEMBER Tokuyama Dental Corporation (JP) 2017-07-05 EP disclosed
US-8367743-B2 Adhesion promoting photoinitiators for UV cured coatings over metal surfaces BASF SE (DE) 2013-02-05 US disclosed
US-20090104464-A1 Adhesion promoting photoinitiators for UV cured coatings over metal surfaces IGM GROUP B.V. (NL) 2009-04-23 US disclosed
WO-2009050116-A2 ADHESION PROMOTING PHOTOINITIATORS FOR UV CURED COATINGS OVER METAL SURFACES BASF SE (DE) 2009-04-23 WO disclosed
EP-0202244-A1 CURED PRODUCTS FROM THERMOSETTABLE POLYMERS OR PREPOLYMERS PREPARED FROM POLYMETHYLATED PYRAZINES AND AROMATIC POLYALDEHYDES. DOW CHEMICAL CO (US) 1986-11-26 EP disclosed
WO-1986006386-A1 THERMOSETTABLE POLYSTYRYLPYRIDINE PREPOLYMER TERMINATED WITH ETHYLENICALLY UNSATURATED GROUPS AND CURED PRODUCTS THEREFROM THE DOW CHEMICAL COMPANY (US) 1986-11-06 WO disclosed
US-4613663-A Thermoplastic and thermosettable products prepared by reacting nitrogen-containing heterocyclic compounds with aromatic aldehydes THE DOW CHEMICAL COMPANY (US) 1986-09-23 US disclosed
WO-1986002932-A1 THERMOSETTABLE POLYMERS OR PREPOLYMERS PREPARED FROM POLYMETHYLATED PYRAZINES AND AROMATIC POLYALDEHYDES AND CURED PRODUCTS THEREFROM THE DOW CHEMICAL COMPANY (US) 1986-05-22 WO disclosed
US-4575542-A Thermosettable polystyrylpyridine prepolymer terminated with ethylenically unsaturated groups and cured products therefrom THE DOW CHEMICAL COMPANY (US) 1986-03-11 US disclosed
US-4543388-A Thermosettable polymers or prepolymers prepared from polymethylated pyrazines and aromatic polyaldehydes and cured products therefrom THE DOW CHEMICAL COMPANY (US) 1985-09-24 US disclosed
US-4122070-A Fibers and anisotropic melts of polyazomethines E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-10-24 US disclosed
US-4048148-A Polyazomethine fibers and films E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-09-13 US disclosed
US-3970579-A Low melting liquid-crystal mixtures OWENS-ILLINOIS, INC. (US) 1976-07-20 US disclosed
US-3948861-A Polyamide-imides from bis-imide and dialdoxime RHONE-POULENC S.A. (FR) 1976-04-06 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 (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-20090104464-A1 Adhesion promoting photoinitiators for UV cured coatings over metal surfaces CDH1, PCNA, VCAM1 CYP2A6 2971/4885HSD17B10 4057/4885ALDH5A1 3914/4885
US-20190300472-A1 POLYMERIZABLE MONOMER, METHOD OF PRODUCING POLYMERIZABLE MONOMER, CURABLE COMPOSITION AND RESIN MEMBER CHRM1, CHRM2, H1-0 CYP2A6 2167/4885HSD17B10 3312/4885ALDH5A1 4026/4885

“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.