SCHEMBL17963584

SCHEMBL17963584

CC1(C)CC(=O)c2c(noc2Cc2ccc(C(=O)O)cc2)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ HPGD P15428 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ LMNA P02545 2/20 0.46
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ ALPL P05186 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ RXRA P19793 2/20 0.39
▸ RXRB P28702 1/20 0.39
▸ RXRG P48443 1/20 0.39
▸ HDAC1 Q13547 3/20 0.38
▸ HDAC6 Q9UBN7 3/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36

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
SCHEMBL20629820 0.85 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL17987122 0.85 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL17987481 0.84 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL17987394 0.84 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL17987118 0.84 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL20629817 0.84 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL17987405 0.83 CYP11B2 (0.56) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL17963580 0.82 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL20547063 0.82 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL17987346 0.82 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AHPGDSMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3250569-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-01-09 — — EP disclosed
EP-3250569-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-01-09 — — EP disclosed
US-10131642-B1 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-11-20 — — US disclosed
US-20180312475-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-11-01 — — US disclosed
EP-3250569-A1 ALDOSTERONE SYNTHASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2017-12-06 — — EP disclosed
WO-2016123275-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-08-04 — — WO disclosed
WO-2016123275-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-08-04 — — 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-20180312475-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 ALDH1A1 250/4885MEN1 610/4885KMT2A 3968/4885
US-10131642-B1 Aldosterone synthase inhibitors CYP21A2, CYP11B1, CYP17A1 ALDH1A1 250/4885MEN1 610/4885KMT2A 3968/4885

“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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