SCHEMBL301286

SCHEMBL301286

CCCCC1CCCCC1(P)CCCC

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NOS1 P29475 1/20 0.30
NOS2 P35228 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
SCHEMBL301253 0.95 TDP1 (0.43) CYP1A2TDP1
SCHEMBL17529781 0.91 TDP1 (0.35) CYP1A2TDP1
SCHEMBL17529896 0.90 EPHX1 (0.34) CYP1A2TDP1
SCHEMBL17529915 0.90 EPHX1 (0.34) CYP1A2TDP1
SCHEMBL17529834 0.90 EPHX1 (0.34) CYP1A2TDP1
SCHEMBL301048 0.81 CA1 (0.31)
SCHEMBL8321529 0.77
SCHEMBL301200 0.76 TDP1 (0.32) TDP1
SCHEMBL16933717 0.75 CYP1A2 (0.39) CYP1A2TDP1NOS1NOS2
SCHEMBL11686673 0.75 CYP1A2 (0.39) CYP1A2TDP1NOS1NOS2

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
WO-2024098840-A1 ISOBUTYLENE-BASED CATIONIC SALT POLYMER, PREPARATION METHOD THEREFOR, USE THEREOF, AND ANTIBACTERIAL POLYMER MATERIAL 中国石油化工股份有限公司 2024-05-16 WO disclosed
EP-2610248-B1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING A PALLADIUM COMPOUND TEIJIN PHARMA LTD (JP) 2016-06-08 EP disclosed
US-8952174-B2 Process for producing phenyl-substituted heterocyclic derivative through coupling using transition metal catalyst TEIJIN PHARMA LIMITED (JP) 2015-02-10 US disclosed
US-8916714-B2 Method for producing phenyl-substituted heterocyclic derivative by means of coupling method using palladium compound TEIJIN PHARMA LIMITED (JP) 2014-12-23 US disclosed
EP-2610248-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING A PALLADIUM COMPOUND Teijin Pharma Limited (JP) 2013-07-03 EP disclosed
US-20130158272-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING PALLADIUM COMPOUND TEIJIN PHARMA LIMITED (JP) 2013-06-20 US disclosed
EP-2404908-A1 PROCESS FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE THROUGH COUPLING USING TRANSITION METAL CATALYST Teijin Pharma Limited (JP) 2012-01-11 EP disclosed
US-20110313169-A1 PROCESS FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE THROUGH COUPLING USING TRANSITION METAL CATALYST TEIJIN PHARMA LIMITED (JP) 2011-12-22 US disclosed
US-4902750-A BISMALEIMIDE RESIN, CATALYST CONTAINING N-(3-PHOSPHORANYLIDENY L-1-AZACYCLOPENTA-2,4-DIONE) RADICAL BASF AKTIENGESELLSCHAFT (DE) 1990-02-20 US disclosed
EP-0315755-A2 Latent catalysts for heat curable resins BASF Aktiengesellschaft (DE) 1989-05-17 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 (2 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-20110313169-A1 PROCESS FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE THROUGH COUPLING USING TRANSITION METAL CATALYST XDH, PAH, HPRT1 CYP1A2 38/4885TDP1 1180/4885NOS1 451/4885
US-20130158272-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING PALLADIUM COMPOUND XDH, AOC1, PAH CYP1A2 237/4885TDP1 1332/4885NOS1 1154/4885

“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.