SCHEMBL104462

SCHEMBL104462

CC(C)CCc1ccc(CCC(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.59
KEAP1 Q14145 1/20 0.57
ALDH1A1 P00352 2/20 0.55
NPSR1 Q6W5P4 1/20 0.54
FFAR4 Q5NUL3 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
S1PR2 O95136 1/20 0.47
S1PR1 P21453 1/20 0.47
S1PR3 Q99500 1/20 0.47

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
SCHEMBL406107 0.87 MAPT (0.59) FFAR1ALDH1A1FFAR4LMNAS1PR2
SCHEMBL664336 0.86 FFAR1 (0.61) FFAR1KEAP1ALDH1A1NPSR1FFAR4
SCHEMBL28750453 0.85 KEAP1 (0.55) FFAR1KEAP1FFAR4THRATHRB
Water SCHEMBL9330654 0.84 FFAR1 (0.59) FFAR1KEAP1ALDH1A1NPSR1CA1
SCHEMBL105022 0.84 ALDH1A1 (0.58) FFAR1ALDH1A1CA2THRATHRB
SCHEMBL24723632 0.83 FFAR1 (0.53) FFAR1KEAP1ALDH1A1NPSR1FFAR4
SCHEMBL10485939 0.83 FFAR1 (0.49) FFAR1KEAP1ALDH1A1NPSR1FFAR4
SCHEMBL69746 0.82 FFAR1 (0.81) FFAR1KEAP1FFAR4CA1CA2
SCHEMBL11386630 0.81 FFAR1 (0.47) FFAR1KEAP1ALDH1A1NPSR1CA1
SCHEMBL24723497 0.81 LMNA (0.69) FFAR1FFAR4THRATHRBLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 FFAR1 1729/4885KEAP1 994/4885ALDH1A1 3128/4885

“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.