SCHEMBL6560665

SCHEMBL6560665

CCc1cccc2oc(=O)ccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.60
HSD17B3 P37058 2/20 0.49
CYP3A4 P08684 2/20 0.47
CTRC Q99895 1/20 0.46
KCNA3 P22001 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
LMNA P02545 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
MCL1 Q07820 1/20 0.44
CA9 Q16790 1/20 0.44
SOST Q9BQB4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44

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
SCHEMBL18483310 0.82 CYP2A6 (0.50) CYP2A6HSD17B3CYP3A4KCNA3CA12
SCHEMBL8372531 0.77 HSD17B3 (0.62) HSD17B3CYP3A4CA12CA1LMNA
SCHEMBL10520417 0.76 CYP2A6 (0.44) CYP2A6HSD17B3CYP3A4KCNA3CA12
SCHEMBL546445 0.76 CYP2A6 (0.59) CYP2A6HSD17B3CYP3A4KCNA3CA12
SCHEMBL8750124 0.76 CTRC (0.48) CYP2A6HSD17B3CYP3A4CTRCCA12
SCHEMBL11036109 0.75 CYP2A6 (1.00) CYP2A6CYP3A4KCNA3CA12CA1
SCHEMBL15842599 0.75 CYP2A6 (0.54) CYP2A6HSD17B3CYP3A4KCNA3CA12
SCHEMBL8750145 0.74 HSD17B3 (0.58) HSD17B3LMNAMCL1TDP1ALOX15
SCHEMBL15842600 0.74 HSD17B3 (0.58) HSD17B3CTRCKCNA3LMNATSHR
SCHEMBL5542888 0.74 CYP2A6 (0.56) CYP2A6CYP3A4KCNA3CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9127092-B2 Method for producing polydienes and polydiene copolymers with reduced cold flow BRIDGESTONE CORPORATION (JP) 2015-09-08 US claimed
US-20140187725-A1 METHOD FOR PRODUCING POLYDIENES AND POLYDIENE COPOLYMERS WITH REDUCED COLD FLOW BRIDGESTONE CORPORATION (JP) 2014-07-03 US claimed
US-5639893-A Process for producing octahydrocoumarins and same as a product of such process SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-06-17 US claimed
EP-0757989-A1 A process for producing octahydrocoumarins and same as a product of such process SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-02-12 EP claimed
US-20230119408-A1 NUCLEOTIDE ANALOGS AND USES THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 2023-04-20 US disclosed
US-20230002436-A1 MODIFIED NUCLEOTIDES AND USES THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 2023-01-05 US disclosed
US-11174281-B1 Modified nucleotides and uses thereof Singular Genomics Systems, Inc. (US) 2021-11-16 US disclosed
US-9127092-B2 Method for producing polydienes and polydiene copolymers with reduced cold flow BRIDGESTONE CORPORATION (JP) 2015-09-08 US disclosed
US-20140187725-A1 METHOD FOR PRODUCING POLYDIENES AND POLYDIENE COPOLYMERS WITH REDUCED COLD FLOW BRIDGESTONE CORPORATION (JP) 2014-07-03 US disclosed
EP-0994176-B1 Single phase liquid mixture of benzophenone and mixture of at least two other normally solid perfumery substances and perfumery uses thereof INT FLAVORS & FRAGRANCES INC (US) 2004-01-28 EP disclosed
EP-0994176-A2 Single phase liquid mixture of benzophenone and mixture of at least two other normally solid perfumery substances and perfumery uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2000-04-19 EP disclosed
US-5639893-A Process for producing octahydrocoumarins and same as a product of such process SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-06-17 US disclosed
EP-0757989-A1 A process for producing octahydrocoumarins and same as a product of such process SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-02-12 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 (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-20230119408-A1 NUCLEOTIDE ANALOGS AND USES THEREOF NUDT1, PNP, NT5C2 CYP2A6 1878/4885HSD17B3 4367/4885CYP3A4 1953/4885
US-20230002436-A1 MODIFIED NUCLEOTIDES AND USES THEREOF NUDT1, RNMT, ADAR CYP2A6 2068/4885HSD17B3 4788/4885CYP3A4 2585/4885
US-11174281-B1 Modified nucleotides and uses thereof NUDT1, RNMT, ADAR CYP2A6 2068/4885HSD17B3 4788/4885CYP3A4 2585/4885

“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.