SCHEMBL17487253

SCHEMBL17487253

CC(C)C(O)(c1ccccn1)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
AHR P35869 2/20 0.39
CHRM3 P20309 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 2/20 0.36
BLM P54132 2/20 0.36
SLC22A2 O15244 1/20 0.36
SLC22A1 O15245 1/20 0.36
PGR P06401 1/20 0.36
THRB P10828 1/20 0.36
ADRB3 P13945 1/20 0.36
OPRK1 P41145 1/20 0.36
PMP22 Q01453 1/20 0.36
KCNH2 Q12809 1/20 0.36
PDE3A Q14432 1/20 0.36
SLC47A1 Q96FL8 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 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
SCHEMBL21742356 0.87 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1AHRCHRM3CYP1A2
SCHEMBL16132342 0.83 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1AHRCHRM3CYP1A2
SCHEMBL26833410 0.81 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1AHRCHRM3CYP1A2
SCHEMBL12238622 0.81 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1AHRCHRM3CYP1A2
SCHEMBL26833409 0.81 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1AHRCHRM3CYP1A2
SCHEMBL16132406 0.81 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1AHRCHRM3CYP1A2
SCHEMBL16132426 0.80 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1AHRCHRM3CYP1A2
SCHEMBL16132385 0.80 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1AHRCHRM3BLM
SCHEMBL8341915 0.79 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1AHRCHRM3CYP1A2
SCHEMBL16132316 0.79 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1AHRCHRM3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160031868-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. 2016-02-04 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 (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-20160031868-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 SMN1; SMN2 3186/4885L3MBTL1 1346/4885AHR 2474/4885

“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.