SCHEMBL12745839

SCHEMBL12745839

COc1cc(F)c(OC)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.44
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 3/20 0.37
CYP1A1 P04798 3/20 0.37
CYP1B1 Q16678 3/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
PTGS2 P35354 1/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KCNJ5 P48544 1/20 0.35
KCNJ3 P48549 1/20 0.35
TPMT P51580 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
FFAR1 O14842 1/20 0.34

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
SCHEMBL8430640 0.84 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP1A1CYP1B1TAS1R3
SCHEMBL1223114 0.80 PTGS2 (0.37) ALDH1A1TAS1R3TAS1R1TAS1R2PTGS2
SCHEMBL25425757 0.80 TAAR1 (0.45) TAAR1ALDH1A1CYP1A2CYP1A1CYP1B1
SCHEMBL19088270 0.80 KMT2A (0.41) ALDH1A1CYP1A2PTGS2MAPTSMN1; SMN2
SCHEMBL31015937 0.80 PTGS2 (0.37) ALDH1A1TAS1R3TAS1R1TAS1R2PTGS2
SCHEMBL12216295 0.78 ACHE (0.43) ALDH1A1TAS1R3TAS1R1TAS1R2PTGS2
SCHEMBL15334771 0.78 TAAR1 (0.44) TAAR1ALDH1A1CYP1A2CYP1A1CYP1B1
SCHEMBL19922066 0.77 PTGS2 (0.42) ALDH1A1CYP1A2PTGS2MAPTNPC1
SCHEMBL15271622 0.77 ACLY (0.41) ALDH1A1PTGS2MAPTTPMTKDM4E
SCHEMBL12745843 0.77 TDP1 (0.46) ALDH1A1TAS1R3TAS1R1TAS1R2PTGS2

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-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 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-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ORAI1, RYR2, CACNA1E TAAR1 187/4885ALDH1A1 1801/4885CYP1A2 1233/4885

“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.