SCHEMBL5243221

SCHEMBL5243221

Ic1ccc(CCCc2ccc(I)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
IDO1 P14902 2/20 0.46
SIGMAR1 Q99720 2/20 0.44
APP P05067 2/20 0.44
HTR2A P28223 1/20 0.44
SPHK2 Q9NRA0 6/20 0.40
SPHK1 Q9NYA1 6/20 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
SCHEMBL2355588 0.87 CYP3A4 (0.50) CYP3A4IDO1SIGMAR1APP
SCHEMBL6510298 0.87 CYP3A4 (0.50) CYP3A4IDO1SIGMAR1APP
SCHEMBL20631948 0.86 ALDH1A1 (0.42) CYP3A4IDO1SIGMAR1APPSPHK2
SCHEMBL3032451 0.86 CYP3A4 (0.41) CYP3A4IDO1SIGMAR1APPSPHK2
SCHEMBL6449698 0.84 SIGMAR1 (0.40) CYP3A4IDO1SIGMAR1APPSPHK2
SCHEMBL7560719 0.84 SIGMAR1 (0.40) CYP3A4IDO1SIGMAR1APPSPHK2
SCHEMBL1004906 0.84 CA2 (0.50) CYP3A4IDO1SIGMAR1SPHK2SPHK1
SCHEMBL15352442 0.84 SIGMAR1 (0.40) CYP3A4IDO1SIGMAR1APPSPHK2
SCHEMBL11663225 0.84 SIGMAR1 (0.40) CYP3A4IDO1SIGMAR1APPSPHK2
SCHEMBL14022427 0.84 SIGMAR1 (0.40) CYP3A4IDO1SIGMAR1APPHTR2A

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
CN-115872967-A Preparation method of dicyclic carbonate containing benzene ring structure 浙江众立合成材料科技股份有限公司 2023-03-31 CN disclosed
US-10454034-B2 Hexabenzocoronene-based compound for organic photovoltaic cells CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-10-22 US disclosed
US-20180047906-A1 HEXABENZOCORONENE-BASED COMPOUND FOR ORGANIC PHOTOVOLTAIC CELLS UNIVERSITE DE PAU ET DES PAYS DE L'ADOUR (FR) 2018-02-15 US disclosed
EP-3268410-A1 HEXABENZOCORONENE-BASED COMPOUND FOR ORGANIC PHOTOVOLTAIC CELLS. Centre National de la Recherche Scientifique (C.N.R.S.) (FR) 2018-01-17 EP disclosed
CN-107428920-A Hexabenzocoronene compound for organic photovoltaic cell 国家科研中心 2017-12-01 CN disclosed
WO-2016142923-A1 HEXABENZOCORONENE-BASED COMPOUND FOR ORGANIC PHOTOVOLTAIC CELLS. CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2016-09-15 WO disclosed
EP-1298176-B1 Stacked film insulating film and substrate for semiconductor JSR CORP (JP) 2007-01-03 EP disclosed
US-6824833-B2 STACKED DIELECTRIC JSR CORPORATION (JP) 2004-11-30 US disclosed
US-20030077461-A1 Stacked film, insulating film and substrate for semiconductor JSR CORPORATION (JP) 2003-04-24 US disclosed
EP-1298176-A2 Stacked film insulating film and substrate for semiconductor JSR Corporation (JP) 2003-04-02 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-10454034-B2 Hexabenzocoronene-based compound for organic photovoltaic cells H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PPOX, PAX3 CYP3A4 127/4885IDO1 1267/4885SIGMAR1 873/4885

“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.