SCHEMBL1611571

SCHEMBL1611571

[C]#CCCCCc1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
SIGMAR1 Q99720 4/20 0.42
CYP2D6 P10635 1/20 0.42
MTNR1A P48039 1/20 0.41
NQO2 P16083 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
HSP90AB1 P08238 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MCL1 Q07820 2/20 0.40

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
SCHEMBL1612033 0.98 GPR84 (0.43) GPR84CYP1A2CYP2C19CYP2C9SIGMAR1
SCHEMBL1610299 0.98 GPR84 (0.43) GPR84CYP1A2CYP2C19CYP2C9SIGMAR1
SCHEMBL1612397 0.95 CYP1A2 (0.46) GPR84CYP1A2CYP2C19CYP2C9SIGMAR1
SCHEMBL1306452 0.90 HPRT1 (0.44) GPR84CYP1A2CYP2C19CYP2C9SIGMAR1
SCHEMBL1306449 0.87 CYP1A2 (0.48) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL1611544 0.85 MTNR1A (0.36) GPR84SIGMAR1MTNR1A
SCHEMBL9800436 0.84 CYP1A2 (0.58) GPR84CYP1A2CYP2C19CYP2C9SIGMAR1
SCHEMBL1610809 0.83 MTNR1A (0.35) GPR84SIGMAR1MTNR1A
SCHEMBL1610860 0.83 MTNR1A (0.35) GPR84SIGMAR1MTNR1A
SCHEMBL3225205 0.82 MTNR1A (0.45) GPR84CYP1A2CYP2C19CYP2C9SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3098226-B1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR FUJIFILM WAKO PURE CHEMICAL CORP (JP) 2018-12-12 EP disclosed
US-10100070-B2 Borate-based base generator, and base-reactive composition comprising such base generator FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2018-10-16 US disclosed
EP-3098226-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR Wako Pure Chemical Industries, Ltd. (JP) 2016-11-30 EP disclosed
US-20160340374-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US disclosed
US-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
EP-2248818-A1 ORGANIC SEMICONDUCTOR MATERIAL Sumitomo Chemical Company, Limited (JP) 2010-11-10 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-10100070-B2 Borate-based base generator, and base-reactive composition comprising such base generator BLM, HPRT1, BROX GPR84 746/4885CYP1A2 3248/4885CYP2C19 916/4885
US-20160340374-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR ENPP3, GNG2, ENPP1 GPR84 548/4885CYP1A2 4314/4885CYP2C19 3004/4885
US-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 GPR84 4196/4885CYP1A2 125/4885CYP2C19 664/4885

“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.