SCHEMBL6849346

SCHEMBL6849346

CC1=CC(=O)C=CC1(C)C

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.54

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
SCHEMBL2602140 0.75 CYP2C19 (0.50) CYP2C19
SCHEMBL10455724 0.72 CYP2C19 (0.47) CYP2C19
SCHEMBL29046149 0.72 CYP2C19 (0.47) CYP2C19
SCHEMBL9998921 0.67
SCHEMBL1100011 0.65
SCHEMBL29283618 0.64 CYP2C19 (0.40) CYP2C19
SCHEMBL10454809 0.61
SCHEMBL20079635 0.61
SCHEMBL21910739 0.60
SCHEMBL18850533 0.59 ALDH1A1 (0.37) CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3468954-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BioMarin Pharmaceutical Inc. (US) 2019-04-17 EP disclosed
WO-2017214505-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2017-12-14 WO disclosed
EP-2457923-B1 STEROL DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2016-01-27 EP disclosed
US-20150119585-A1 STEROL DERIVATIVE KYOWA HAKKO KIRIN CO., LTD (JP) 2015-04-30 US disclosed
US-20150119585-A1 STEROL DERIVATIVE KYOWA HAKKO KIRIN CO., LTD (JP) 2015-04-30 US disclosed
US-8952003-B2 Sterol derivative KYOWA HAKKO KIRIN CO., LTD (JP) 2015-02-10 US disclosed
US-8952003-B2 Sterol derivative KYOWA HAKKO KIRIN CO., LTD (JP) 2015-02-10 US disclosed
US-20120172348-A1 STEROL DERIVATIVE KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-07-05 US disclosed
US-20120172348-A1 STEROL DERIVATIVE KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-07-05 US disclosed
EP-2457923-A1 STEROL DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2012-05-30 EP disclosed
WO-2011010682-A1 STEROL DERIVATIVE 協和発酵キリン株式会社 (JP) 2011-01-27 WO disclosed
US-20090093638-A1 Allylic Oxidations Catalyzed by Dirhodium Catalysts under Aqueous Conditions UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2009-04-09 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 (3 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-20120172348-A1 STEROL DERIVATIVE NR1H3, NR1H2, SREBF1 CYP2C19 2665/4885
US-20150119585-A1 STEROL DERIVATIVE NR1H3, NR1H2, SREBF1 CYP2C19 2665/4885
US-20090093638-A1 Allylic Oxidations Catalyzed by Dirhodium Catalysts under Aqueous Conditions CYP11B2, DHCR7, ZDHHC7 CYP2C19 934/4885

“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.