SCHEMBL646288

SCHEMBL646288

CCCCc1cc2c([nH]c3cc(O)ccc32)c(C)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 6/20 0.51
▸ GABRP O00591 1/20 0.41
▸ GABRD O14764 1/20 0.41
▸ GABRA1 P14867 1/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ GABRB1 P18505 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ GABRA2 P47869 1/20 0.41
▸ GABRB2 P47870 1/20 0.41
▸ GABRA4 P48169 1/20 0.41
▸ GABRE P78334 1/20 0.41
▸ GABRA6 Q16445 1/20 0.41
▸ GABRG1 Q8N1C3 1/20 0.41
▸ GABRG3 Q99928 1/20 0.41
▸ GABRQ Q9UN88 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.38
▸ KDM4E B2RXH2 4/20 0.38

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
SCHEMBL8852559 0.92 DYRK1A (0.53) DYRK1AALDH1A1KDM4EHPGDGAA
SCHEMBL647613 0.87 DYRK1A (0.55) DYRK1AALDH1A1KDM4EHPGDGAA
SCHEMBL16123492 0.78 DYRK1A (0.49) DYRK1AALDH1A1KDM4EHPGDGAA
SCHEMBL30939970 0.78 DYRK1A (0.49) DYRK1AALDH1A1KDM4EHPGDGAA
SCHEMBL16123486 0.75 KDM4E (0.47) DYRK1AALDH1A1KDM4EHPGDGAA
SCHEMBL16123491 0.73 DYRK1A (0.55) DYRK1AALDH1A1KDM4EHPGDGAA
SCHEMBL28503355 0.69 DYRK1A (0.54) DYRK1AGABRPGABRDGABRA1GABRB1
SCHEMBL30939928 0.69 CCNB2 (0.68) DYRK1AGABRPGABRDGABRA1GABRB1
SCHEMBL177685 0.69 CCNB2 (0.68) DYRK1AGABRPGABRDGABRA1GABRB1
SCHEMBL11350793 0.69 MAPT (0.61) ALDH1A1KDM4EHPGDGAAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5591738-A Method of treating chemical dependency using β-carboline alkaloids, derivatives and salts thereof NDA INTERNATIONAL, INC. (US) 1997-01-07 — — US claimed
US-20150152187-A1 Anti-PSMA Antibodies Conjugated to Nuclear Receptor Ligand Polypeptides AMBRX, INC. (US) 2015-06-04 — — US disclosed
EP-2861259-A1 ANTI-PSMA ANTIBODIES CONJUGATED TO NUCLEAR RECEPTOR LIGAND POLYPEPTIDES Ambrx, Inc. (US) 2015-04-22 — — EP disclosed
WO-2013188740-A1 ANTI-PSMA ANTIBODIES CONJUGATED TO NUCLEAR RECEPTOR LIGAND POLYPEPTIDES AMBRX, INC. (US) 2013-12-19 — — WO disclosed
US-8580773-B2 Small-molecule inhibitors of the androgen receptor THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-11-12 — — US disclosed
US-20130096095-A1 SMALL-MOLECULE INHIBITORS OF THE ANDROGEN RECEPTOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-04-18 — — US disclosed
US-8354538-B2 Small-molecule inhibitors of the androgen receptor THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-01-15 — — US disclosed
US-8119660-B2 Small-molecule inhibitors of the androgen receptor THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-21 — — US disclosed
US-20110224253-A1 SMALL-MOLECULE INHIBITORS OF THE ANDROGEN RECEPTOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-09-15 — — US disclosed
EP-2276345-A1 SMALL-MOLECULE INHIBITORS OF THE ANDROGEN RECEPTOR The Regents of the University of California (US) 2011-01-26 — — EP disclosed
US-20100168128-A1 SMALL-MOLECULE INHIBITORS OF THE ANDROGEN RECEPTOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-07-01 — — US disclosed
US-7696227-B2 Small-molecule inhibitors of the androgen receptor REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-04-13 — — US disclosed
WO-2009132307-A1 SMALL-MOLECULE INHIBITORS OF THE ANDROGEN RECEPTOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-10-29 — — WO disclosed
US-20080293766-A1 SMALL-MOLECULE INHIBITORS OF THE ANDROGEN RECEPTOR REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-11-27 — — US disclosed
WO-2008128100-A1 SMALL-MOLECULE INHIBITORS OF THE ANDROGEN RECEPTOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-10-23 — — 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 (5 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-20130096095-A1 SMALL-MOLECULE INHIBITORS OF THE ANDROGEN RECEPTOR AR, NR5A1, CYP17A1 DYRK1A 2516/4885GABRP 215/4885GABRD 223/4885
US-20150152187-A1 Anti-PSMA Antibodies Conjugated to Nuclear Receptor Ligand Polypeptides AR, PSMA1, NR2E3 DYRK1A 4408/4885GABRP 204/4885GABRD 615/4885
US-20100168128-A1 SMALL-MOLECULE INHIBITORS OF THE ANDROGEN RECEPTOR AR, GNRHR, FSHR DYRK1A 3694/4885GABRP 3400/4885GABRD 2742/4885
US-20080293766-A1 SMALL-MOLECULE INHIBITORS OF THE ANDROGEN RECEPTOR AR, GNRHR, FSHR DYRK1A 3694/4885GABRP 3400/4885GABRD 2742/4885
US-20110224253-A1 SMALL-MOLECULE INHIBITORS OF THE ANDROGEN RECEPTOR AR, NR5A1, CYP17A1 DYRK1A 2516/4885GABRP 215/4885GABRD 223/4885

“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.

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