SCHEMBL2817660

SCHEMBL2817660

COc1ccc2c(c1)C(O)C(C)(C)CC2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.45
GAA P10253 3/20 0.45
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
KLK7 P49862 1/20 0.41
HTT P42858 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
PRNP P04156 1/20 0.40
HTR2C P28335 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
POLB P06746 1/20 0.39
CYP19A1 P11511 2/20 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
SCHEMBL2818743 0.80 CYP1A1 (0.44) ALDH1A1LMNAGAAKDM4ESMN1; SMN2
SCHEMBL28415469 0.78 HTR2C (0.43) LMNAHTR2CCYP19A1
SCHEMBL28740986 0.75 LMNA (0.43) LMNASMN1; SMN2HTR2CMAPTCYP3A4
SCHEMBL29448050 0.75 LMNA (0.43) LMNASMN1; SMN2HTR2CMAPTCYP3A4
SCHEMBL2819316 0.74 MEN1 (0.37) ALDH1A1KDM4ESMN1; SMN2POLBMEN1
SCHEMBL5266396 0.70 KDM4E (0.56) ALDH1A1LMNAGAAKDM4EHTT
SCHEMBL388758 0.70 PGR (0.53) ALDH1A1LMNAGAAKDM4ESMN1; SMN2
SCHEMBL25835264 0.70 CA1 (0.61) ALDH1A1LMNAGAAKDM4ESMN1; SMN2
SCHEMBL2817474 0.70 HTR2C (0.55) LMNASMN1; SMN2HTR2CCYP19A1
SCHEMBL25835261 0.70 CA1 (0.61) ALDH1A1LMNAGAAKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 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
EP-2094680-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2009-09-02 EP disclosed
WO-2008076336-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 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 (1 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 289/4885LMNA 2130/4885GAA 671/4885

“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.