SCHEMBL12419953

SCHEMBL12419953

Brc1ccc([C@@H]2OC[C@H](c3ccccc3)O2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
ADRA2A P08913 3/20 0.36
CHRM2 P08172 3/20 0.36
CHRM4 P08173 3/20 0.36
CHRM1 P11229 3/20 0.36
CHRM3 P20309 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HDAC4 P56524 1/20 0.36
CHRM5 P08912 2/20 0.36

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
SCHEMBL12419943 1.00 TSHR (0.48) TSHRALDH1A1HPGDCYP2C9CYP2C19
SCHEMBL9661892 0.89 TSHR (0.60) TSHRALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL11753665 0.79 TSHR (0.44) TSHRALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL12419661 0.79 TSHR (0.44) TSHRALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL12419657 0.79 TSHR (0.44) TSHRALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL12419654 0.79 TSHR (0.44) TSHRALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL2238431 0.72 TSHR (0.56) TSHRALDH1A1HPGDCYP2C9CYP2C19
SCHEMBL83447 0.72 TSHR (0.56) TSHRALDH1A1HPGDCYP2C9CYP2C19
SCHEMBL916179 0.72 TSHR (0.56) TSHRALDH1A1HPGDCYP2C9CYP2C19
SCHEMBL7145829 0.71 MEN1 (0.51) TSHRALDH1A1CYP2C9CYP2C19MEN1

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-20150368278-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2015-12-24 US disclosed
US-8957049-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-02-17 US disclosed
US-20110172186-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. 2011-07-14 US disclosed
US-20110172186-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. 2011-07-14 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 (2 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-20110172186-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 TSHR 2563/4885ALDH1A1 354/4885HPGD 189/4885
US-20150368278-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 TSHR 2563/4885ALDH1A1 354/4885HPGD 189/4885

“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.