SCHEMBL643603

SCHEMBL643603

Fc1ccc2[c]cccc2c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
CYP2A6 P11509 1/20 0.48
AHR P35869 1/20 0.33
FLT3 P36888 1/20 0.32
BACE1 P56817 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL644839 0.83 CYP1A2 (0.48) CYP1A2CYP2A6AHRBACE1KDM4E
SCHEMBL2318276 0.77 ESR1 (0.35) CYP1A2
SCHEMBL756551 0.76 CYP2A6 (0.32) CYP2A6
SCHEMBL644419 0.76 CYP2A6 (0.50) CYP2A6AHRKDM4EALDH1A1HSD17B10
SCHEMBL8355321 0.74 NOS1 (0.31)
SCHEMBL646094 0.74 CYP2A6 (0.48) CYP1A2CYP2A6AHRBACE1KDM4E
SCHEMBL2252898 0.74 ALDH1A1 (0.48) CYP2A6KDM4EALDH1A1HPGDHSD17B10
SCHEMBL645977 0.74 CYP2A6 (0.48) CYP1A2CYP2A6BACE1KDM4EALDH1A1
SCHEMBL1296866 0.74 CYP1A2 (0.48) CYP1A2ALDH1A1HSD17B10
SCHEMBL1921671 0.74 ALDH1A1 (0.32) CYP2A6ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505753-B2 Inhibitors of D-amino acid oxidase THE JOHNS HOPKINS UNIVERSITY (US) 2016-11-29 US claimed
US-20150299163-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES IRBM - SCIENCE PARK S.P.A. (IT) 2015-10-22 US claimed
EP-2914589-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES IRBM - Science Park S.p.A. (IT) 2015-09-09 EP claimed
WO-2014067985-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES IRBM SCIENCE PARK S.P.A. (IT) 2014-05-08 WO claimed
US-6235753-B1 TUMOR NECROSIS FACTOR; AUTOIMMUNE DISEASES; ANTIALLERGENS SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-22 US claimed
EP-0279598-B1 ARYLPIPERAZINYL-ALKYLENE-PHENYL-HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 1993-09-15 EP claimed
EP-0279598-A2 Arylpiperazinyl-alkylene-phenyl-heterocyclic compounds PFIZER INC. (US) 1988-08-24 EP claimed
US-20240231230-A1 COMPOSITION FOR FORMING SILICON-CONTAINING RESIST UNDERLAYER FILM NISSAN CHEMICAL CORPORATION (JP) 2024-07-11 US disclosed
US-20240201593-A1 COMPOSITION FOR FORMING SILICON-CONTAINING RESIST UNDERLAYER FILM NISSAN CHEMICAL CORPORATION (JP) 2024-06-20 US disclosed
CN-118159910-A Additive-containing silicon-containing resist underlayer film forming composition 日产化学株式会社 2024-06-07 CN disclosed
CN-111989321-B KRAS G12C inhibitors 米拉蒂治疗股份有限公司 2024-05-14 CN disclosed
CN-117940850-A Composition for forming silicon-containing resist underlayer film, laminate using same, and method for producing semiconductor element 日产化学株式会社 2024-04-26 CN disclosed
WO-2024063044-A1 COMPOSITION FOR FORMING SILICON-CONTAINING RESIST UNDERLAYER FILM 日産化学株式会社 2024-03-28 WO disclosed
EP-0281309-B1 PIPERAZINYL-HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 1991-12-27 EP disclosed
EP-0383635-A2 Peptides having renin inhibitory activity their preparation and use Sankyo Company Limited (JP) 1990-08-22 EP disclosed
US-4891375-A Arylpiperazinyl-alkylene-phenyl-heterocyclic compounds PFIZER INC. (US) 1990-01-02 US disclosed
US-4883795-A Piperazinyl-heterocyclic compounds PFIZER INC. (US) 1989-11-28 US disclosed
US-4831031-A Aryl piperazinyl-(C2 or C4) alkylene heterocyclic compounds having neuroleptic activity PFIZER INC. (US) 1989-05-16 US disclosed
EP-0281309-A1 Piperazinyl-heterocyclic compounds PFIZER INC. (US) 1988-09-07 EP disclosed
EP-0279598-A2 Arylpiperazinyl-alkylene-phenyl-heterocyclic compounds PFIZER INC. (US) 1988-08-24 EP 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-20150299163-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES HDAC3, HDAC5, HDAC1 CYP1A2 3132/4885CYP2A6 3823/4885AHR 1620/4885

“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.