SCHEMBL17987357

SCHEMBL17987357

CC1(C)Cc2noc(Cc3ccc(F)cc3)c2C(=O)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MAOB P27338 2/20 0.37
▸ LMNA P02545 1/20 0.35
▸ NPSR1 Q6W5P4 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ ALPL P05186 2/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ OPRD1 P41143 1/20 0.31
▸ PARP1 P09874 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ EGFR P00533 2/20 0.30
▸ CNR1 P21554 1/20 0.30
▸ CNR2 P34972 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL17987358 0.85 MEN1 (0.44) ALDH1A1MEN1KMT2ALMNANPSR1
SCHEMBL17963586 0.84 MEN1 (0.41) ALDH1A1MEN1KMT2AMAOBLMNA
SCHEMBL17987316 0.82 RAB9A (0.45) ALDH1A1MEN1KMT2ALMNANPSR1
SCHEMBL17987481 0.81 ALDH1A1 (0.64) ALDH1A1MEN1KMT2ALMNANPSR1
SCHEMBL17963588 0.79 MEN1 (0.40) ALDH1A1MEN1KMT2ALMNANPSR1
SCHEMBL17987359 0.78 MEN1 (0.41) ALDH1A1MEN1KMT2AMAOB
SCHEMBL20558386 0.78 SMN1; SMN2 (0.51) ALDH1A1MEN1KMT2AMAOBLMNA
SCHEMBL17963592 0.78 MEN1 (0.41) ALDH1A1MEN1KMT2AMAOB
SCHEMBL20629830 0.78 MEN1 (0.41) ALDH1A1MEN1KMT2AMAOB
SCHEMBL20547143 0.75 CYP11B2 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2CYP11B2

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 4 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
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
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.

Send feedback