SCHEMBL1612397

SCHEMBL1612397

[C]#CCCCc1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
GPR84 Q9NQS5 1/20 0.45
SIGMAR1 Q99720 2/20 0.43
CYP2D6 P10635 1/20 0.43
MTNR1A P48039 2/20 0.42
NQO2 P16083 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MCL1 Q07820 2/20 0.41
ACP3 P15309 1/20 0.41

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
SCHEMBL1611571 0.95 GPR84 (0.44) CYP1A2CYP2C19CYP2C9GPR84SIGMAR1
SCHEMBL1612033 0.93 GPR84 (0.43) CYP1A2CYP2C19CYP2C9GPR84SIGMAR1
SCHEMBL1610299 0.93 GPR84 (0.43) CYP1A2CYP2C19CYP2C9GPR84SIGMAR1
SCHEMBL1306449 0.89 CYP1A2 (0.48) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL1306452 0.85 HPRT1 (0.44) CYP1A2CYP2C19CYP2C9GPR84SIGMAR1
SCHEMBL1305626 0.84 MTNR1A (0.37) GPR84MTNR1A
SCHEMBL5830948 0.82 GPR84 (0.59) CYP1A2CYP2C19CYP2C9GPR84SIGMAR1
SCHEMBL9800436 0.82 CYP1A2 (0.58) CYP1A2CYP2C19CYP2C9GPR84SIGMAR1
SCHEMBL31258909 0.81 ATM (0.50) CYP1A2CYP2C19CYP2C9GPR84SIGMAR1
SCHEMBL11214375 0.81 ATM (0.50) CYP1A2CYP2C19CYP2C9GPR84SIGMAR1

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 10 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
US-6743776-B2 ANTIFUNGAL, BETA-1,3-GLUCAN SYNTHASE INHIBITOR, PNEUMOCYSTIS CARINII; AMIDATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-01 US disclosed
US-20020193560-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY ASTELLAS PHARMA INC. (JP) 2002-12-19 US disclosed
EP-0941236-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-09-15 EP disclosed
WO-1998023637-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-04 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 (4 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 CYP1A2 3248/4885CYP2C19 916/4885CYP2C9 1860/4885
US-20020193560-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY NGLY1, CHIT1, MANBA CYP1A2 3431/4885CYP2C19 2409/4885CYP2C9 2777/4885
US-20160340374-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR ENPP3, GNG2, ENPP1 CYP1A2 4314/4885CYP2C19 3004/4885CYP2C9 2978/4885
US-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 CYP1A2 125/4885CYP2C19 664/4885CYP2C9 823/4885

“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.