SCHEMBL686690

SCHEMBL686690

C1=c2cc3cc4cc5ccccc5cc4cc3cc2=CCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
HSD17B10 Q99714 3/20 0.42
CYP3A4 P08684 2/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
HIF1A Q16665 2/20 0.42
ALOX15 P16050 1/20 0.42
HBB P68871 1/20 0.42
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
GLA P06280 1/20 0.36
ACHE P22303 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2A6 P11509 6/20 0.35
ALOX12 P18054 1/20 0.35
NQO2 P16083 1/20 0.35

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
SCHEMBL3465537 1.00 ALDH1A1 (0.42) ALDH1A1TDP1HSD17B10CYP3A4CASP1
SCHEMBL9429759 1.00 ALDH1A1 (0.42) ALDH1A1TDP1HSD17B10CYP3A4CASP1
SCHEMBL8665803 0.95 CYP2A6 (0.39) ALDH1A1TDP1HSD17B10CYP3A4CASP1
SCHEMBL19198316 0.80 ALDH1A1 (0.56) ALDH1A1TDP1HSD17B10CYP3A4MAPT
SCHEMBL24159474 0.78 NQO2 (0.58) ALDH1A1TDP1HSD17B10CYP3A4MAPT
SCHEMBL13709408 0.77 ALDH1A1 (0.34) ALDH1A1TDP1HSD17B10CYP3A4CASP1
SCHEMBL3798534 0.76 ALDH1A1 (0.61) ALDH1A1TDP1HSD17B10CYP3A4CASP1
Benz(B)Anthracene SCHEMBL3474922 0.76 ALDH1A1 (0.61) ALDH1A1TDP1HSD17B10CYP3A4CASP1
SCHEMBL22634171 0.76 ALDH1A1 (0.61) ALDH1A1TDP1HSD17B10CYP3A4CASP1
Benz(B)Anthracene SCHEMBL22352910 0.76 ALDH1A1 (0.61) ALDH1A1TDP1HSD17B10CYP3A4CASP1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10604469-B2 Method for the preparation of a partially hydrogenated polyacene and an intermediate thereof FUNDACIO INSTITUT CATALA D'INVESTIGACIO QUIMICA (ES) 2020-03-31 US claimed
US-20190161426-A1 METHOD FOR THE PREPARATION OF A PARTIALLY HYDROGENATED POLYACENE AND AN INTERMEDIATE THEREOF UNIVERSITAT ROVIRA I VIRGILI (ES) 2019-05-30 US claimed
WO-2018019436-A1 METHOD FOR THE PREPARATION OF A PARTIALLY HYDROGENATED POLYACENE AND AN INTERMEDIATE THEREOF FUNDACIÓ INSTITUT CATALÀ D'INVESTIGACIÓ QUÍMICA (ICIQ) (ES) 2018-02-01 WO claimed
EP-3275876-A1 METHOD FOR THE PREPARATION OF A PARTIALLY HYDROGENATED POLYACENE AND AN INTERMEDIATE THEREOF Fundació Institut Català D'investigació Quimica (ES) 2018-01-31 EP claimed
US-10604469-B2 Method for the preparation of a partially hydrogenated polyacene and an intermediate thereof FUNDACIO INSTITUT CATALA D'INVESTIGACIO QUIMICA (ES) 2020-03-31 US disclosed
US-20190161426-A1 METHOD FOR THE PREPARATION OF A PARTIALLY HYDROGENATED POLYACENE AND AN INTERMEDIATE THEREOF UNIVERSITAT ROVIRA I VIRGILI (ES) 2019-05-30 US disclosed
WO-2018019436-A1 METHOD FOR THE PREPARATION OF A PARTIALLY HYDROGENATED POLYACENE AND AN INTERMEDIATE THEREOF FUNDACIÓ INSTITUT CATALÀ D'INVESTIGACIÓ QUÍMICA (ICIQ) (ES) 2018-02-01 WO disclosed
EP-3275876-A1 METHOD FOR THE PREPARATION OF A PARTIALLY HYDROGENATED POLYACENE AND AN INTERMEDIATE THEREOF Fundació Institut Català D'investigació Quimica (ES) 2018-01-31 EP disclosed
WO-2017131406-A1 ORGANIC COMPOUND, THREE-DIMENSIONAL ORGANIC FRAMEWORK FORMED BY USING ORGANIC COMPOUND, SEPARATION SIEVE AND OPTICAL LAYER, WHICH COMPRISE ORGANIC FRAMEWORK, AND OPTICAL DEVICE COMPRISING OPTICAL LAYER AS OPTICAL AMPLIFICATION LAYER 한양대학교 산학협력단 2017-08-03 WO disclosed
US-8785671-B2 6,13-dihalogen-5,14-dihydropentacene derivative and method for producing 6,13-substituted-5,14-dihydropentacene derivative using same NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2014-07-22 US disclosed
CN-103204797-A Arylamine organic luminescence material of dihydropentacene, and preparation method thereof JILIN OPTICAL & ELECTRONIC MATERIALS CO LTD 2013-07-17 CN disclosed
CN-103204797-A Arylamine organic luminescence material of dihydropentacene, and preparation method thereof JILIN OPTICAL & ELECTRONIC MATERIALS CO LTD 2013-07-17 CN disclosed
EP-1606239-A1 METHOD OF PREPARATION OF A PRECURSOR OLIGOCENE Koninklijke Philips Electronics N.V. (NL) 2005-12-21 EP disclosed
US-6974877-B2 Process for preparing pentacene derivatives 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-12-13 US disclosed
JP-2005306857-A PREPARATION METHOD FOR POLYACENE COMPOUND SONY CORP 2005-11-04 JP disclosed
WO-2004083160-A1 METHOD OF PREPARATION OF A PRECURSOR OLIGOCENE KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2004-09-30 WO disclosed
EP-1430008-A2 PROCESS FOR PREPARING PENTACENE DERIVATIVES 3M Innovative Properties Company (US) 2004-06-23 EP disclosed
US-20030100779-A1 Process for preparing pentacene derivatives 3M INNOVATIVE PROPERTIES COMPANY 2003-05-29 US disclosed
US-20030097010-A1 Process for preparing pentacene derivatives 3M INNOVATIVE PROPERTIES COMPANY 2003-05-22 US disclosed
WO-2003027050-A2 PROCESS FOR PREPARING PENTACENE DERIVATIVES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-04-03 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-10604469-B2 Method for the preparation of a partially hydrogenated polyacene and an intermediate thereof PARN, PCBP1, PARG ALDH1A1 1200/4885TDP1 3158/4885HSD17B10 28/4885
US-20030097010-A1 Process for preparing pentacene derivatives H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PCBP1, RARA ALDH1A1 1091/4885TDP1 4173/4885HSD17B10 588/4885
US-20030100779-A1 Process for preparing pentacene derivatives H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PCBP1, RARA ALDH1A1 1091/4885TDP1 4173/4885HSD17B10 588/4885
US-20190161426-A1 METHOD FOR THE PREPARATION OF A PARTIALLY HYDROGENATED POLYACENE AND AN INTERMEDIATE THEREOF PARN, PCBP1, PARG ALDH1A1 1200/4885TDP1 3158/4885HSD17B10 28/4885

“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.