SCHEMBL3752178

SCHEMBL3752178

O=C(O)c1cc(-c2ccc([C@@H](O)C(F)F)cc2)c2ccc(-c3ccc(F)cc3)cc2c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 14/20 0.46
TMEM97 Q5BJF2 5/20 0.46
ADRB3 P13945 2/20 0.46
ADRA1B P35368 2/20 0.46
CHRM5 P08912 2/20 0.46
HTR1B P28222 2/20 0.46
HRH1 P35367 1/20 0.46
HTR1A P08908 2/20 0.44
DRD5 P21918 2/20 0.44
SLC6A2 P23975 2/20 0.44
AGTR1 P30556 2/20 0.44
DRD3 P35462 2/20 0.44
SLC6A3 Q01959 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
CYP3A4 P08684 1/20 0.44
KCNH2 Q12809 1/20 0.44
PDE2A O00408 1/20 0.44
PDE5A O76074 1/20 0.44
EGFR P00533 1/20 0.44
INSR P06213 1/20 0.44

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
SCHEMBL3761498 0.87 P2RY14 (0.61) P2RY14TMEM97ADRB3ADRA1BCHRM5
SCHEMBL3749731 0.86 P2RY14 (0.43) P2RY14TMEM97ADRB3ADRA1BCHRM5
SCHEMBL3746870 0.84 GRM2 (0.41) P2RY14TMEM97SIGMAR1DRD1
SCHEMBL3746866 0.75 DHODH (0.36) P2RY14TMEM97ADRB3ADRA1BDRD5
SCHEMBL3256895 0.75 DHODH (0.36) P2RY14TMEM97ADRB3ADRA1BDRD5
SCHEMBL2930702 0.74 P2RY14 (0.62) P2RY14TMEM97ADRB3ADRA1BCHRM5
SCHEMBL3752857 0.74 P2RY14 (0.62) P2RY14TMEM97ADRB3ADRA1BCHRM5
SCHEMBL3757976 0.74 P2RY14 (0.62) P2RY14TMEM97ADRB3ADRA1BCHRM5
SCHEMBL3260732 0.73 TMEM97 (0.39) P2RY14TMEM97SIGMAR1DRD1
SCHEMBL3755119 0.73 TMEM97 (0.39) P2RY14TMEM97SIGMAR1DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298347-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD (CA) 2010-11-25 US disclosed
US-20100298347-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD (CA) 2010-11-25 US disclosed
US-20100298347-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD (CA) 2010-11-25 US disclosed
WO-2009070873-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD. (CA) 2009-06-11 WO 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-20100298347-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY GPR119, GPR52, GPR35 P2RY14 423/4885TMEM97 143/4885ADRB3 206/4885

“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.