SCHEMBL10067933

SCHEMBL10067933

CCCc1ccc(C(C)=O)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
NPC1 O15118 8/20 0.42
RAB9A P51151 8/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
POLB P06746 3/20 0.41
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PLK1 P53350 1/20 0.39
HSP90AA1 P07900 3/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 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
SCHEMBL8365120 0.85 EPHX2 (0.52) SMN1; SMN2ALDH1A1MAPTKDM4EKMT2A
SCHEMBL10422627 0.85 EPHX2 (0.52) SMN1; SMN2ALDH1A1MAPTKDM4EKMT2A
SCHEMBL10423263 0.85 EPHX2 (0.52) SMN1; SMN2ALDH1A1MAPTKDM4EKMT2A
SCHEMBL13841169 0.84 TDP1 (0.62) SMN1; SMN2ALDH1A1MAPTKDM4EHTT
SCHEMBL17016712 0.84 TDP1 (0.47) SMN1; SMN2ALDH1A1MAPTKDM4EHTT
SCHEMBL13039993 0.83 NPC1 (0.47) SMN1; SMN2ALDH1A1MAPTHTTTDP1
SCHEMBL27488370 0.82 HTT (0.42) SMN1; SMN2ALDH1A1MAPTKDM4EHTT
SCHEMBL3060942 0.82 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1MAPTKDM4EHTT
SCHEMBL11974036 0.79 HTT (0.71) SMN1; SMN2ALDH1A1MAPTKDM4EHTT
SCHEMBL855399 0.79 TDP1 (0.67) SMN1; SMN2ALDH1A1MAPTKDM4EHTT

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-20120077711-A1 Novel Ligands and Libraries of Ligands SUNESIS PHARMACEUTICALS, INC. (US) 2012-03-29 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-20120077711-A1 Novel Ligands and Libraries of Ligands LSS, ABCG2, SELL SMN1; SMN2 4117/4885ALDH1A1 533/4885MAPT 3743/4885

“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.