SCHEMBL3687907

SCHEMBL3687907

c1ccc2cc(-c3ccc4ccc5c(-c6ccc7ccccc7c6)ccc6ccc3c4c65)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.55
HDAC4 P56524 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
ESR2 Q92731 2/20 0.45
ESR1 P03372 1/20 0.45
CYP1A2 P05177 4/20 0.44
ERBB2 P04626 1/20 0.44
FYN P06241 1/20 0.44
MAOA P21397 1/20 0.44
ACHE P22303 1/20 0.44
AHR P35869 1/20 0.44
ALOX5 P09917 1/20 0.44
DHFR P00374 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
THRB P10828 1/20 0.43
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42

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
SCHEMBL3792915 1.00 GSTP1 (0.55) GSTP1HDAC4HDAC2HDAC8ESR2
SCHEMBL2789566 0.96 GSTP1 (0.52) GSTP1HDAC4HDAC2HDAC8ESR2
SCHEMBL4153121 0.93 GSTP1 (0.48) GSTP1HDAC4HDAC2HDAC8ESR2
SCHEMBL24728748 0.92 ESR1 (0.52) GSTP1HDAC4HDAC2HDAC8ESR2
SCHEMBL2961222 0.92 CYP1A2 (0.48) GSTP1HDAC4HDAC2HDAC8CYP1A2
SCHEMBL29950077 0.89 GSTP1 (0.46) GSTP1HDAC4HDAC2HDAC8ESR2
SCHEMBL3689582 0.89 GSTP1 (0.46) GSTP1HDAC4HDAC2HDAC8ESR2
SCHEMBL1155157 0.89 GSTP1 (0.46) GSTP1HDAC4HDAC2HDAC8CYP1A2
SCHEMBL2789682 0.89 GSTP1 (0.46) GSTP1HDAC4HDAC2HDAC8ESR2
SCHEMBL2329037 0.88 GSTP1 (0.52) GSTP1HDAC4HDAC2HDAC8ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9512137-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2016-12-06 US disclosed
US-8709613-B2 Aromatic amine derivative, organic electroluminescent element employing the same, and process for producing aromatic amine derivative IDEMITSU KOSAN CO., LTD. (JP) 2014-04-29 US disclosed
EP-2602839-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Idemitsu Kosan Co., Ltd. (JP) 2013-06-12 EP disclosed
US-8318995-B2 Asymmetric pyrene derivative and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2012-11-27 US disclosed
US-20120256172-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-10-11 US disclosed
US-20100308718-A1 ASYMMETRIC PYRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-12-09 US disclosed
US-7763761-B2 Asymmetric pyrene derivative and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2010-07-27 US disclosed
US-20080207864-A1 Organosilanes, Process For Production of the Same, and Use Thereof SHARP KABUSHIKI KAISHA (JP) 2008-08-28 US disclosed
US-20080015399-A1 1,6-Substituted 3,8-Dihalogenopyrene And Process For Producing The Same IDEMITSU KOSAN CO., LTD. (JP) 2008-01-17 US disclosed
US-20070252511-A1 Aromatic Amine Derivative, Organic Electroluminescent Element Employing the Same, and Process for Producing Aromatic Amine Derivative IDEMITSU KOSAN CO., LTD. (JP) 2007-11-01 US disclosed
EP-1749809-A1 ASYMMETRIC PYRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2007-02-07 EP disclosed
EP-1746085-A1 AROMATIC AMINE DERIVATIVE, ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME, AND PROCESS FOR PRODUCING AROMATIC AMINE DERIVATIVE IDEMITSU KOSAN CO., LTD. (JP) 2007-01-24 EP disclosed
EP-1746080-A1 1,6-SUBSTITUTED 3,8-DIHALOGENOPYRENE AND PROCESS FOR PRODUCING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2007-01-24 EP disclosed
US-20060154107-A1 Asymmetric pyrene derivative and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2006-07-13 US 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-20100308718-A1 ASYMMETRIC PYRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME ESR1, EBPL, JUP GSTP1 662/4885HDAC4 4622/4885HDAC2 3706/4885
US-20070252511-A1 Aromatic Amine Derivative, Organic Electroluminescent Element Employing the Same, and Process for Producing Aromatic Amine Derivative TYR, MAOA, DDC GSTP1 3657/4885HDAC4 3355/4885HDAC2 1946/4885
US-20120256172-A1 ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, SLC25A11, SLCO4C1 GSTP1 1694/4885HDAC4 4501/4885HDAC2 4500/4885
US-20080015399-A1 1,6-Substituted 3,8-Dihalogenopyrene And Process For Producing The Same CCNL2, CYP1A1, AHR GSTP1 315/4885HDAC4 4814/4885HDAC2 4471/4885

“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.