SCHEMBL10169477

SCHEMBL10169477

CCOC(=O)C(C)(C)c1ccc(C(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
CNR2 P34972 7/20 0.48
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HIF1A Q16665 1/20 0.46
RORC P51449 1/20 0.45
ABCB11 O95342 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
HTR2A P28223 1/20 0.43
PMP22 Q01453 1/20 0.43
PPARA Q07869 1/20 0.43
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HPGD P15428 1/20 0.40
CACNA1B Q00975 1/20 0.39

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
SCHEMBL25534917 0.87 PDE2A (0.44) LMNASMN1; SMN2HTTCNR2RORC
SCHEMBL397134 0.83 CYP1A2 (0.53) LMNASMN1; SMN2CNR2CYP2C9RORC
SCHEMBL6677336 0.83 ABCB11 (0.61) SMN1; SMN2CNR2RORCABCB11CYP1A2
SCHEMBL6279399 0.82 CNR2 (0.58) SMN1; SMN2HTTCNR2RORCABCB11
SCHEMBL20438344 0.82 SMN1; SMN2 (0.48) LMNASMN1; SMN2HTTCYP2D6CYP2C9
SCHEMBL17420736 0.82 LMNA (0.48) LMNASMN1; SMN2HTTCYP2D6CYP2C9
SCHEMBL12545931 0.81 CNR2 (0.45) LMNASMN1; SMN2HTTCNR2CYP3A4
SCHEMBL20768580 0.81 RORC (0.42) CNR2RORCABCB11CYP1A2CYP3A4
SCHEMBL20768581 0.81 RORC (0.42) CNR2RORCABCB11CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL12273902 0.81 CYP1A2 (0.51) LMNASMN1; SMN2HTTCNR2RORC

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-8586751-B2 Nicotinamide compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-19 US disclosed
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 US disclosed
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 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-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS NADK, BTK, NAMPT LMNA 3170/4885SMN1; SMN2 2328/4885HTT 3854/4885

“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.