SCHEMBL17260640

SCHEMBL17260640

COC(=O)CCCc1ccc2ccccc2c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.67
HDAC1 Q13547 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
ALDH1A1 P00352 1/20 0.56
SIGMAR1 Q99720 1/20 0.51
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
HCAR2 Q8TDS4 1/20 0.50
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49
P2RY12 Q9H244 1/20 0.49
NR1H4 Q96RI1 1/20 0.48
CCNC P24863 1/20 0.48
CDK8 P49336 1/20 0.48

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
SCHEMBL17578809 0.95 HDAC1 (0.65) CYP1A2HDAC1HDAC8ALDH1A1SIGMAR1
SCHEMBL5348242 0.90 CYP1A2 (0.57) CYP1A2HDAC1HDAC8ALDH1A1CCNC
SCHEMBL5593842 0.86 CYP1A2 (0.53) CYP1A2HDAC1HDAC8HCAR2CCNC
SCHEMBL6771529 0.85 CYP1A2 (0.63) CYP1A2HDAC1HDAC8SIGMAR1CYP2D6
SCHEMBL21617914 0.83 LMNA (0.60) CYP1A2ALDH1A1HCAR2
SCHEMBL27862045 0.83 CYP1A2 (0.69) CYP1A2HDAC1HDAC8SIGMAR1CYP2D6
SCHEMBL6799501 0.83 CYP1A2 (0.53) CYP1A2HDAC1HDAC8HCAR2
SCHEMBL5182845 0.82 CYP1A2 (0.73) CYP1A2HDAC1HDAC8ALDH1A1SIGMAR1
SCHEMBL26604686 0.81 CYP4F2 (0.58) CYP1A2HDAC1HDAC8NR1H4
SCHEMBL22921868 0.81 TSHR (0.58) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10226452-B2 Benzoxazolone derivatives as acid ceramidase inhibitors, and their use as medicaments THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-03-12 US disclosed
US-20170182010-A1 BENZOXAZOLONE DERIVATIVES AS ACID CERAMIDASE INHIBITORS, AND THEIR USE AS MEDICAMENTS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2017-06-29 US disclosed
WO-2015173168-A1 BENZOXAZOLONE DERIVATIVES AS ACID CERAMIDASE INHIBITORS, AND THEIR USE AS MEDICAMENTS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2015-11-19 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-10226452-B2 Benzoxazolone derivatives as acid ceramidase inhibitors, and their use as medicaments ASAH1, ASAH2, ACER2 CYP1A2 760/4885HDAC1 139/4885HDAC8 79/4885
US-20170182010-A1 BENZOXAZOLONE DERIVATIVES AS ACID CERAMIDASE INHIBITORS, AND THEIR USE AS MEDICAMENTS ASAH1, ASAH2, ACER2 CYP1A2 760/4885HDAC1 139/4885HDAC8 79/4885

“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.