SCHEMBL3465537

SCHEMBL3465537

C1=c2cc3cc4cc5cc6ccccc6cc5cc4cc3cc2=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
SCHEMBL686690 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2199437-B1 Use of an organic semiconductor solution to form oriented polyacene crystals on a substrate ASAHI CHEMICAL IND (JP) 2015-07-29 EP disclosed
EP-1416069-B1 ORGANIC SEMICONDUCTOR FILM AND METHOD FOR MANUFACTURE THEREOF ASAHI CHEMICAL IND (JP) 2010-10-27 EP disclosed
EP-2199437-A2 Organic semiconductor solution Asahi Kasei Kabushiki Kaisha (JP) 2010-06-23 EP disclosed
US-20070026310-A1 Redox-active reversible electrode and secondary battery using the same Oyama, Noboru 2007-02-01 US disclosed
EP-1744388-A1 REDOX ACTIVE REVERSIBLE ELECTRODE AND SECONDARY BATTERY INCLUDING THE SAME Oyama, Noboru (JP) 2007-01-17 EP disclosed
US-7061010-B2 Organic semiconductor element ASAHI KASEI KABUSHIKI KAISHA (JP) 2006-06-13 US disclosed
US-20050258417-A1 Organic semicondutor element ASAHI KASEI KABUSHIKI KAISHA (JP) 2005-11-24 US disclosed
EP-1416069-A1 ORGANIC SEMICONDUCTOR ELEMENT Asahi Kasei Kabushiki Kaisha (JP) 2004-05-06 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-20070026310-A1 Redox-active reversible electrode and secondary battery using the same GPX1, GPX4, SQOR ALDH1A1 341/4885TDP1 2235/4885HSD17B10 840/4885

“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.