SCHEMBL9911525

SCHEMBL9911525

CC(C)NCc1ccc(C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.59
ALDH1A1 P00352 4/20 0.53
NR1H4 Q96RI1 4/20 0.50
EPHX2 P34913 3/20 0.50
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
ALOX15 P16050 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTGS2 P35354 1/20 0.47
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
MEP1B Q16820 2/20 0.45
ACACB O00763 1/20 0.45

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
SCHEMBL20850576 0.85 ALDH1A1 (0.47) KMT2AALDH1A1LMNACYP1A2ALOX15
SCHEMBL12674550 0.85 KMT2A (0.55) KMT2AALDH1A1NR1H4EPHX2POLB
SCHEMBL12667380 0.83 ALDH1A1 (0.46) KMT2AALDH1A1POLBLMNACYP1A2
SCHEMBL15592772 0.81 ALDH1A1 (0.50) KMT2AALDH1A1LMNAADRB1ADRB3
SCHEMBL21152902 0.81 MAPT (0.46) KMT2AALDH1A1POLBL3MBTL1LMNA
SCHEMBL3114984 0.81 LOXL2 (0.58) KMT2AALDH1A1HPGDLMNACYP1A2
SCHEMBL28423575 0.81 KMT2A (0.51) KMT2AALDH1A1NR1H4EPHX2POLB
SCHEMBL3271284 0.81 SIGMAR1 (0.48) ALDH1A1POLBLMNACYP1A2ALOX15
SCHEMBL20110271 0.81 ALDH1A1 (0.40) KMT2AALDH1A1POLBLMNACYP1A2
SCHEMBL24239461 0.80 ALDH1A1 (0.44) KMT2AALDH1A1LMNACYP1A2ALOX15

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10640466-B2 Anthracene based compounds and their uses UNIVERSITY OF HERTFORDSHIRE HIGHER EDUCATION CORPORATION (GB) 2020-05-05 US disclosed
US-10188653-B2 Diacylglycerol acyltransferase 2 inhibitors PFIZER INC. (US) 2019-01-29 US disclosed
US-20180118685-A1 ANTHRACENE BASED COMPOUNDS AND THEIR USES UNIVERSITY OF HERTFORDSHIRE HIGHER EDUCATION CORPORATION (GB) 2018-05-03 US disclosed
US-20180118685-A1 ANTHRACENE BASED COMPOUNDS AND THEIR USES UNIVERSITY OF HERTFORDSHIRE HIGHER EDUCATION CORPORATION (GB) 2018-05-03 US disclosed
US-20180042926-A1 DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITORS PFIZER INC. (US) 2018-02-15 US disclosed
US-20180042926-A1 DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITORS PFIZER INC. (US) 2018-02-15 US disclosed
US-9789110-B2 Diacylglycerol acyltransferase 2 inhibitors PFIZER INC. (US) 2017-10-17 US disclosed
US-9789110-B2 Diacylglycerol acyltransferase 2 inhibitors PFIZER INC. (US) 2017-10-17 US disclosed
US-20160303125-A1 DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITORS PFIZER INC. (US) 2016-10-20 US disclosed
US-9440949-B2 Diacylglycerol acyltransferase 2 inhibitors PFIZER INC. (US) 2016-09-13 US disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-7888363-B2 1-Cyclopentyl-3-methyl-2-(2-pyridyl)indole-5-amino/thio/carbonyl derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-15 US disclosed
US-7888363-B2 1-Cyclopentyl-3-methyl-2-(2-pyridyl)indole-5-amino/thio/carbonyl derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-15 US disclosed
US-7517998-B2 Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2009-04-14 US disclosed
US-7517998-B2 Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2009-04-14 US disclosed
US-20080249107-A1 Non-Glycosylated/Non-Glycosidic/Non-Peptidic Small Molecule Psgl-1 Mimetics for the Treatment of Inflammatory Disorders REVOTAR BIOPHARMACEUTICALS AG (DE) 2008-10-09 US disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 US disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 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 (7 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-20180118685-A1 ANTHRACENE BASED COMPOUNDS AND THEIR USES CYP2D6, CYP3A43, ACMSD KMT2A 3477/4885ALDH1A1 1242/4885NR1H4 130/4885
US-10188653-B2 Diacylglycerol acyltransferase 2 inhibitors DGAT2, LCLAT1, DGAT1 KMT2A 766/4885ALDH1A1 1034/4885NR1H4 2623/4885
US-10640466-B2 Anthracene based compounds and their uses CYP2D6, CYP3A43, ACMSD KMT2A 3477/4885ALDH1A1 1242/4885NR1H4 130/4885
US-20070142380-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A KMT2A 1908/4885ALDH1A1 1556/4885NR1H4 1783/4885
US-20160303125-A1 DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITORS DGAT2, LCLAT1, DGAT1 KMT2A 766/4885ALDH1A1 1034/4885NR1H4 2623/4885
US-20080249107-A1 Non-Glycosylated/Non-Glycosidic/Non-Peptidic Small Molecule Psgl-1 Mimetics for the Treatment of Inflammatory Disorders SELP, SELPLG, SELE KMT2A 4414/4885ALDH1A1 2010/4885NR1H4 610/4885
US-20180042926-A1 DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITORS DGAT2, LCLAT1, DGAT1 KMT2A 766/4885ALDH1A1 1034/4885NR1H4 2623/4885

“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.