SCHEMBL10291334

SCHEMBL10291334

CCc1c(CNc2ccc3c(c2)OCC3C(=O)OC)cccc1-c1c(C)cccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.39
TP53 P04637 3/20 0.35
INSR P06213 1/20 0.34
IGF1R P08069 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
MAPT P10636 4/20 0.33
GAA P10253 3/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
CASP1 P29466 1/20 0.33
HBB P68871 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 3/20 0.33
ROCK2 O75116 1/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL10291217 0.89 CA12 (0.40) FFAR1INSRIGF1RKDM4CMAPT
SCHEMBL10291216 0.88 FFAR1 (0.39) FFAR1TP53INSRIGF1RKDM4C
SCHEMBL10291218 0.80 SMN1; SMN2 (0.41) FFAR1KDM4CMAPTGAARAB9A
SCHEMBL10291380 0.78 FFAR1 (0.40) FFAR1TP53KDM4CMAPTGAA
SCHEMBL13047132 0.74 FFAR1 (0.46) FFAR1
SCHEMBL13046441 0.74 FFAR1 (0.46) FFAR1
SCHEMBL10009860 0.73 FFAR1 (0.54) FFAR1
SCHEMBL13046446 0.73 FFAR1 (0.46) FFAR1GAAALDH1A1TDP1PKM
SCHEMBL1708464 0.72 HAO1 (0.39) FFAR1KDM4CMAPTGAARAB9A
SCHEMBL10010697 0.72 FFAR1 (0.53) FFAR1

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-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-05 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-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF GPR119, INSR, GLP1R FFAR1 20/4885TP53 3018/4885INSR 2/4885

“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.