SCHEMBL1098201

SCHEMBL1098201

CC1(C)C(=O)c2ccccc2C1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
ALOX12 P18054 2/20 0.40
RECQL P46063 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
CA7 P43166 1/20 0.40
BACE1 P56817 1/20 0.40
CA9 Q16790 1/20 0.40
EHMT2 Q96KQ7 1/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.39
APAF1 O14727 1/20 0.39
TDP2 O95551 1/20 0.39
NSD2 O96028 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL30884927 0.82 ALDH1A1 (0.39) ALDH1A1ALOX12RECQLL3MBTL1CA1
SCHEMBL9587885 0.79 L3MBTL1 (0.36) ALDH1A1ALOX12RECQLL3MBTL1CA1
SCHEMBL29475780 0.78 MAPT (0.40) ALDH1A1ALOX12RECQLL3MBTL1CA1
SCHEMBL29475778 0.78 MAPT (0.40) ALDH1A1ALOX12RECQLL3MBTL1CA1
SCHEMBL3676704 0.78 ACHE (0.38) ALDH1A1ALOX12RECQLL3MBTL1CA1
SCHEMBL20669050 0.76 KMT2A (0.54) ALDH1A1KMT2APOLBMAPTTHRB
SCHEMBL24151287 0.76 MAPT (0.38) ALDH1A1ALOX12RECQLL3MBTL1CA1
SCHEMBL19283557 0.76 ALDH1A1 (0.40) ALDH1A1ALOX12RECQLL3MBTL1CA1
SCHEMBL27680395 0.76 CDC25A (0.41) ALDH1A1ALOX12RECQLL3MBTL1CA1
SCHEMBL27766938 0.76 ALDH1A1 (0.35) ALDH1A1ALOX12RECQLL3MBTL1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 US disclosed
US-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 US disclosed
US-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 US disclosed
US-8153674-B2 Organic compounds NOVARTIS AG (CH) 2012-04-10 US disclosed
US-8153674-B2 Organic compounds NOVARTIS AG (CH) 2012-04-10 US disclosed
US-8153674-B2 Organic compounds NOVARTIS AG (CH) 2012-04-10 US disclosed
EP-2213668-A2 Imidazoles as aldosterone synthase inhibitors Novartis AG (CH) 2010-08-04 EP disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 US disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 US disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 US disclosed
CN-101605777-A Imidazoles as aldosterone synthase inhibitors NOVARTIS AG (CH) 2009-12-16 CN disclosed
EP-2094680-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2009-09-02 EP disclosed
US-20090182007-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 US disclosed
US-20090182007-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 US disclosed
US-20090182007-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 US disclosed
EP-2001866-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2008-12-17 EP disclosed
WO-2008076336-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 WO disclosed
WO-2008076336-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 WO disclosed
WO-2007117982-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-18 WO disclosed
WO-2007117982-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-18 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 (2 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-20100048562-A1 ORGANIC COMPOUNDS CYP11B1, HSD11B1, CYP17A1 ALDH1A1 289/4885ALOX12 103/4885RECQL 3739/4885
US-20090182007-A1 ORGANIC COMPOUNDS REN, CYP17A1, HSD17B1 ALDH1A1 215/4885ALOX12 87/4885RECQL 4034/4885

“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.