SCHEMBL9625099

SCHEMBL9625099

CC(C)(C)C(=O)OCCN1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 1/20 0.44
PSMB1 P20618 1/20 0.41
PSMB5 P28074 1/20 0.41
PSMB2 P49721 1/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.40
BCHE P06276 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
HTR1A P08908 1/20 0.40
CHRM5 P08912 1/20 0.40
ADRA2A P08913 1/20 0.40
CHRM1 P11229 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40

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
SCHEMBL15248890 0.98 KMT2A (0.47) NPSR1POLBGAAKMT2AMEN1
SCHEMBL19432673 0.98 KMT2A (0.47) NPSR1POLBGAAKMT2AMEN1
SCHEMBL9963878 0.87 CYP2D6 (0.50) POLBGAAKMT2AMEN1ALDH1A1
SCHEMBL20990570 0.87 ALDH1A1 (0.57) NPSR1POLBGAAKMT2AMEN1
SCHEMBL27719504 0.86 HRH3 (0.47) KMT2AMEN1ALDH1A1KDM4EHRH3
SCHEMBL12422451 0.86 HRH3 (0.46) GAAALDH1A1KDM4EHRH3
SCHEMBL12422452 0.86 HRH3 (0.46) GAAALDH1A1KDM4EHRH3
SCHEMBL23870901 0.85 KMT2A (0.43) NPSR1KMT2AMEN1ALDH1A1PSMB1
SCHEMBL26784986 0.85 KMT2A (0.46) NPSR1KMT2AMEN1ALDH1A1PSMB1
SCHEMBL12422453 0.84 HRH3 (0.48) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0250997-B1 VALPROIC AND (E)-2-VALPROENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS THEREFROM CHIESI FARMACEUTICI S.p.A. (IT) 1992-04-15 EP claimed
US-20200325265-A1 NOVEL BLOCK COPOLYMER AND MICELLE COMPOSITIONS AND METHODS OF USE THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-10-15 US disclosed
US-20170239259-A1 ARYLOXY PHENOXY ACRYLIC COMPOUND HAVING HIF-1 INHIBITION ACTIVITY, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2017-08-24 US disclosed
US-20170239259-A1 ARYLOXY PHENOXY ACRYLIC COMPOUND HAVING HIF-1 INHIBITION ACTIVITY, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2017-08-24 US disclosed
US-8940936-B2 Aryloxy phenoxy acrylic compound having HIF-1 inhibition activity, method for preparing same, and pharmaceutical composition containing same as an active ingredient KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2015-01-27 US disclosed
US-20130237542-A1 ARYLOXY PHENOXY ACRYLIC COMPOUND HAVING HIF-1 INHIBITION ACTIVITY, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS AN ACTIVE INGREDIENT DONGGUK UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2013-09-12 US disclosed
US-7759356-B2 Arylindenopyridines and arylindenopyrimidines and related therapeutic and prophylactic methods JANSSEN PHARMACEUTICA, N.V. (BE) 2010-07-20 US disclosed
US-7754730-B2 Arylindenopyridines and arylindenopyrimidines and related therapeutic and prophylactic methods ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2010-07-13 US disclosed
US-20090054429-A1 ARYLINDENOPYRIDINES AND ARYLINDENOPYRIMIDINES AND RELATED THERAPEUTIC AND PROPHYLACTIC METHODS JANSSEN PHARMACEUTICA NV (BE) 2009-02-26 US disclosed
US-7468373-B2 Arylindenopyridines and arylindenopyrimidines and related therapeutic and prophylactic methods ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-12-23 US disclosed
US-7468373-B2 Arylindenopyridines and arylindenopyrimidines and related therapeutic and prophylactic methods ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-12-23 US disclosed
US-7345052-B2 Arylindenopyridines and arylindenopyrimidines and related therapeutic and prophylactic methods ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-03-18 US disclosed
US-20070155760-A1 ARYLINDENOPYRIDINES AND ARYLINDENOPYRIMIDINES AND RELATED THERAPEUTIC AND PROPHYLACTIC METHODS JANSSEN PHARMACEUTICA NV (BE) 2007-07-05 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 (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-20070155760-A1 ARYLINDENOPYRIDINES AND ARYLINDENOPYRIMIDINES AND RELATED THERAPEUTIC AND PROPHYLACTIC METHODS ADORA2A, ADORA1, ADORA3 NPSR1 85/4885POLB 3147/4885GAA 2759/4885
US-20200325265-A1 NOVEL BLOCK COPOLYMER AND MICELLE COMPOSITIONS AND METHODS OF USE THEREOF FOLR2, FOLR1, MPC2 NPSR1 863/4885POLB 1245/4885GAA 4696/4885
US-20130237542-A1 ARYLOXY PHENOXY ACRYLIC COMPOUND HAVING HIF-1 INHIBITION ACTIVITY, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS AN ACTIVE INGREDIENT HIF1A, HIF1AN, VHL NPSR1 3209/4885POLB 2725/4885GAA 625/4885
US-20170239259-A1 ARYLOXY PHENOXY ACRYLIC COMPOUND HAVING HIF-1 INHIBITION ACTIVITY, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS AN ACTIVE INGREDIENT HIF1A, HIF1AN, VHL NPSR1 3209/4885POLB 2725/4885GAA 625/4885
US-20090054429-A1 ARYLINDENOPYRIDINES AND ARYLINDENOPYRIMIDINES AND RELATED THERAPEUTIC AND PROPHYLACTIC METHODS ADORA2A, ADORA1, ADORA3 NPSR1 85/4885POLB 3147/4885GAA 2759/4885

“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.