SCHEMBL1105482

SCHEMBL1105482

COc1ccc(C(C)=O)cc1C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
LMNA P02545 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CREBBP Q92793 2/20 0.46
POLB P06746 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46

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
SCHEMBL12270174 0.86 LMNA (0.52) ALDH1A1KMT2AMEN1LMNACYP1A2
SCHEMBL4695867 0.86 CA12 (0.65) ALDH1A1PTGS1PTGS2LMNACYP1A2
SCHEMBL8554478 0.84 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1TSHRMAPT
SCHEMBL18090937 0.84 MAPK1 (0.59) ALDH1A1KMT2AMEN1PTGS1PTGS2
SCHEMBL10239573 0.84 MAPT (0.58) ALDH1A1KMT2AMEN1PTGS1PTGS2
SCHEMBL7436393 0.84 PTGS1 (0.50) ALDH1A1KMT2AMEN1PTGS1PTGS2
SCHEMBL19651838 0.81 TLR9 (0.51) ALDH1A1KMT2APTGS1PTGS2LMNA
SCHEMBL10239974 0.81 MEN1 (0.56) ALDH1A1KMT2AMEN1PTGS1PTGS2
SCHEMBL11578757 0.80 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1PTGS1PTGS2
SCHEMBL23583879 0.79 HSD17B2 (0.61) ALDH1A1KMT2AMEN1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-11-09 US disclosed
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 US disclosed
US-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 US disclosed
EP-0409729-B1 Bi-aromatic thioesters, process for their preparation and their use in human or veterinary medicine and in cosmetics CIRD GALDERMA (FR) 1994-01-12 EP disclosed
EP-0409729-A1 Bi-aromatic thioesters, process for their preparation and their use in human or veterinary medicine and in cosmetics CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1991-01-23 EP disclosed
EP-0191496-B1 TRIAZINE DERIVATIVES, A PROCESS FOR PREPARING THE DERIVATIVES, AND HERBICIDES CONTAINING THE DERIVATIVES AS THE EFFECTIVE COMPONENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-10-31 EP disclosed
EP-0198919-B1 PHARMACEUTICAL PREPARATIONS SCHERING AKTIENGESELLSCHAFT (DE) 1990-02-28 EP disclosed
CN-1004204-B Herbicide containing triazine derivative as active ingredient 出光兴产株式会社 1989-05-17 CN disclosed
US-4680054-A Triazine derivatives, a process for preparing the derivatives, and herbicides containing the derivatives as the effective component IDEMITSU KOSAN COMPANY LIMITED (JP) 1987-07-14 US disclosed
EP-0198919-A1 PHARMACEUTICAL PREPARATIONS. SCHERING AG (DE) 1986-10-29 EP disclosed
EP-0191496-A2 Triazine Derivatives, a process for preparing the derivatives, and herbicides containing the derivatives as the effective component IDEMITSU KOSAN COMPANY LIMITED (JP) 1986-08-20 EP disclosed
CN-86100884-A Process for preparing triazine derivatives and herbicides containing the derivatives as active ingredient 1986-08-13 CN disclosed
WO-1986002268-A1 PHARMACEUTICAL PREPARATIONS SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1986-04-24 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 (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-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS ALDH1A1 782/4885KMT2A 4800/4885MEN1 2414/4885
US-11873291-B2 Quinoline cGAS antagonist compounds CGAS, GLS2, GLS ALDH1A1 4236/4885KMT2A 4371/4885MEN1 1514/4885
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS CGAS, GLS2, GLS ALDH1A1 4236/4885KMT2A 4371/4885MEN1 1514/4885

“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.