SCHEMBL4846808

SCHEMBL4846808

C1=Cc2ccc3cc4ccccc4cc3c2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
HSD17B10 Q99714 4/20 0.39
HIF1A Q16665 2/20 0.39
CYP1B1 Q16678 1/20 0.39
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
CYP1A2 P05177 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
ERBB2 P04626 1/20 0.32
FYN P06241 1/20 0.32
MAOA P21397 1/20 0.32
ACHE P22303 1/20 0.32
AHR P35869 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HBB P68871 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL4850615 0.89 ALDH1A1 (0.55) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL5409389 0.88 ALDH1A1 (0.48) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL2290546 0.82 HSD17B10 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1KDM4E
SCHEMBL29399101 0.82 HSD17B10 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1KDM4E
SCHEMBL29801033 0.82 ALDH1A1 (0.36) ALDH1A1HSD17B10HIF1ACYP1B1KDM4E
SCHEMBL3418047 0.82 ALDH1A1 (0.36) ALDH1A1HSD17B10HIF1ACYP1B1KDM4E
SCHEMBL31450268 0.81 HSD17B10 (0.42) ALDH1A1HSD17B10HIF1ACYP1B1KDM4E
Benzene SCHEMBL1724439 0.81 HSD17B10 (0.42) ALDH1A1HSD17B10HIF1ACYP1B1KDM4E
SCHEMBL19810029 0.81 ALDH1A1 (0.35) ALDH1A1HSD17B10HIF1ACYP1B1KDM4E
SCHEMBL31497107 0.78 HPRT1 (0.52) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10160738-B2 Neuroactive substituted cyclopent[a]anthracenes as modulators for GABA type-A receptors WASHINGTON UNIVERSITY (US) 2018-12-25 US disclosed
US-10160738-B2 Neuroactive substituted cyclopent[a]anthracenes as modulators for GABA type-A receptors WASHINGTON UNIVERSITY (US) 2018-12-25 US disclosed
US-10160738-B2 Neuroactive substituted cyclopent[a]anthracenes as modulators for GABA type-A receptors WASHINGTON UNIVERSITY (US) 2018-12-25 US disclosed
US-20180086727-A9 NEUROACTIVE SUBSTITUTED CYCLOPENT[a]ANTHRACENES AS MODULATORS FOR GABA TYPE-A RECEPTORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-03-29 US disclosed
US-20180086727-A9 NEUROACTIVE SUBSTITUTED CYCLOPENT[a]ANTHRACENES AS MODULATORS FOR GABA TYPE-A RECEPTORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-03-29 US disclosed
US-20170233356-A1 NEUROACTIVE SUBSTITUTED CYCLOPENT[a]ANTHRACENES AS MODULATORS FOR GABA TYPE-A RECEPTORS UNIV WASHINGTON (US) 2017-08-17 US disclosed
US-20170233356-A1 NEUROACTIVE SUBSTITUTED CYCLOPENT[a]ANTHRACENES AS MODULATORS FOR GABA TYPE-A RECEPTORS UNIV WASHINGTON (US) 2017-08-17 US disclosed
US-9562026-B2 Neuroactive substituted cyclopent[a]anthracenes as modulators for GABA type-A receptors WASHINGTON UNIVERSITY (US) 2017-02-07 US disclosed
US-9562026-B2 Neuroactive substituted cyclopent[a]anthracenes as modulators for GABA type-A receptors WASHINGTON UNIVERSITY (US) 2017-02-07 US disclosed
US-9562026-B2 Neuroactive substituted cyclopent[a]anthracenes as modulators for GABA type-A receptors WASHINGTON UNIVERSITY (US) 2017-02-07 US disclosed
US-20140275241-A1 NEUROACTIVE SUBSTITUTED CYCLOPENT[a]ANTHRACENES AS MODULATORS FOR GABA TYPE-A RECEPTORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-09-18 US disclosed
US-20140275241-A1 NEUROACTIVE SUBSTITUTED CYCLOPENT[a]ANTHRACENES AS MODULATORS FOR GABA TYPE-A RECEPTORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-09-18 US disclosed
US-7470290-B2 Hydroscopic polymer gels for easier cleaning THE CLOROX COMPANY (US) 2008-12-30 US disclosed
US-7183010-B2 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK CORPORATION (US) 2007-02-27 US disclosed
US-20050245428-A1 Hydroscopic polymer gels for easier cleaning RODRIGUES KLIN A 2005-11-03 US disclosed
US-20040076853-A1 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK COMPANY 2004-04-22 US disclosed
EP-0301907-B1 NOVEL SUBSTITUTED ANTHRASTEROID DERIVATES, THEIR PRODUCTION AND USE SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1991-04-17 EP disclosed
US-4874898-A ANTIANDROGENS SHIONOGI AND CO., LTD. PATENT DEPARTMENT (JP) 1989-10-17 US disclosed
EP-0301907-A1 Novel substituted anthrasteroid derivates, their production and use SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1989-02-01 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 (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-20140275241-A1 NEUROACTIVE SUBSTITUTED CYCLOPENT[a]ANTHRACENES AS MODULATORS FOR GABA TYPE-A RECEPTORS GABRA4, GABRA2, GABRA6 ALDH1A1 384/4885HSD17B10 1096/4885HIF1A 2443/4885
US-20170233356-A1 NEUROACTIVE SUBSTITUTED CYCLOPENT[a]ANTHRACENES AS MODULATORS FOR GABA TYPE-A RECEPTORS GABRA4, GABRA2, GABRA6 ALDH1A1 384/4885HSD17B10 1096/4885HIF1A 2443/4885
US-10160738-B2 Neuroactive substituted cyclopent[a]anthracenes as modulators for GABA type-A receptors GABRA4, GABRA2, GABRA6 ALDH1A1 384/4885HSD17B10 1096/4885HIF1A 2443/4885
US-20180086727-A9 NEUROACTIVE SUBSTITUTED CYCLOPENT[a]ANTHRACENES AS MODULATORS FOR GABA TYPE-A RECEPTORS GABRA4, GABRA2, GABRA6 ALDH1A1 384/4885HSD17B10 1096/4885HIF1A 2443/4885

“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.