SCHEMBL13618898

SCHEMBL13618898

Cc1cccc(C(=O)C[C@@H](c2ccc(CCC3CC3)cc2)C2CCC2)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.35
CXCR5 P32302 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KCNH2 Q12809 1/20 0.33
ACKR3 P25106 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
P2RX7 Q99572 1/20 0.32
MAOB P27338 1/20 0.31
BRS3 P32247 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31

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
SCHEMBL13618879 0.98 TAS1R3 (0.37) FFAR1CXCR5TAS1R3TAS1R1TAS1R2
SCHEMBL13618871 0.97 TAS1R3 (0.36) FFAR1CXCR5TAS1R3TAS1R1TAS1R2
SCHEMBL13618888 0.82 NPC1 (0.34) CXCR5TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL13618884 0.81 LMNA (0.37) ACKR3KDM4ENPC1TP53RAB9A
SCHEMBL13618887 0.81 HDAC1 (0.36) FFAR1ACKR3NPC1HPGDRAB9A
SCHEMBL13618875 0.80 LMNA (0.39) ACKR3KDM4ENPC1TP53RAB9A
SCHEMBL13618877 0.80 HDAC1 (0.37) ACKR3KDM4ENPC1HPGDRAB9A
SCHEMBL13618880 0.78 HSD17B1 (0.43) CXCR5TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL13618872 0.77 HSD17B1 (0.45) CXCR5TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL13618873 0.71 MEN1 (0.33) FFAR1ALDH1A1KDM4ENPC1TP53

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-20090286765-A1 Therapeutic Agents MERCK SHARP & DOHME (UK) LIMITED (GB) 2009-11-19 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-20090286765-A1 Therapeutic Agents GRIA1, GRIN1, GLRA1 FFAR1 1134/4885CXCR5 4708/4885TAS1R3 1314/4885

“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.