SCHEMBL9947231

SCHEMBL9947231

C=C1OB(c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)OC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.47
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
GPR119 Q8TDV5 6/20 0.43
USP30 Q70CQ3 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
STS P08842 1/20 0.39
PDE4B Q07343 1/20 0.39
P2RY14 Q15391 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
WNT3A P56704 1/20 0.38
IGF1R P08069 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL180435 0.85 USP30 (0.56) NAMPTDDB1CRBNGPR119USP30
SCHEMBL14241711 0.83 MAPT (0.53) NAMPTDDB1CRBNGPR119MAPT
SCHEMBL13506981 0.82 STS (0.48) GPR119USP30STS
SCHEMBL16936643 0.79 USP30 (0.59) NAMPTDDB1CRBNGPR119USP30
SCHEMBL9947265 0.79 QDPR (0.38)
SCHEMBL12720747 0.79 DDB1 (0.47) DDB1CRBNGPR119USP30
SCHEMBL8020239 0.78 STS (0.41) GPR119KDM4EMAPTTHRBSTS
SCHEMBL26026340 0.78 NAMPT (0.46) NAMPTDDB1CRBNGPR119USP30
SCHEMBL4252998 0.77 DDB1 (0.46) DDB1CRBNGPR119USP30MAPT
SCHEMBL12279111 0.76 NR1H2 (0.54) NAMPTDDB1CRBNUSP30MAPT

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-20120149686-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORKS (CA) 2012-06-14 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-20120149686-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME MAP3K5, MAP3K6, MAP3K1 NAMPT 818/4885DDB1 1815/4885CRBN 1139/4885

“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.