SCHEMBL20100951

SCHEMBL20100951

COc1cc(C(=O)O[Si](C)(C)C(C)(C)C)ccc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.45
HSD17B2 P37059 1/20 0.42
MAPT P10636 3/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TSHR P16473 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA7 P43166 1/20 0.39
TPMT P51580 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL20100939 0.84 KMT2A (0.47) MAPTTSHRSMN1; SMN2KMT2ARAB9A
SCHEMBL20105088 0.84 DRD2 (0.47) MAPTTSHRCYP1A2CYP3A4CYP2C9
SCHEMBL7517428 0.79 NOTUM (0.55) NOTUMMAPTCYP2C9CA12CA1
SCHEMBL20105087 0.79 DRD2 (0.38) NOTUMMAPTTAS1R3TAS1R1CA12
SCHEMBL9376320 0.78 NOTUM (0.49) NOTUMHSD17B2MAPTTAS1R3TAS1R1
SCHEMBL1757167 0.77 MAPT (0.64) NOTUMHSD17B2MAPTTAS1R3TAS1R1
SCHEMBL31721306 0.77 MAPT (0.64) NOTUMHSD17B2MAPTTAS1R3TAS1R1
SCHEMBL16328932 0.76 CA1 (0.56) MAPTCYP1A2CYP2C9CYP2C19CA1
SCHEMBL20100933 0.76 TDP1 (0.52) MAPTCYP1A2SMN1; SMN2KMT2AMEN1
SCHEMBL9088340 0.75 MEN1 (0.44) MAPTTSHRCYP3A4CYP2C9SMN1; SMN2

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-20180116993-A1 MODULATORS OF FARNESOID X RECEPTOR AND METHODS FOR THE USE THEREOF XIAMEN UNIVERSITY (CN) 2018-05-03 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-20180116993-A1 MODULATORS OF FARNESOID X RECEPTOR AND METHODS FOR THE USE THEREOF NR1H4, FABP1, NR1H2 NOTUM 2083/4885HSD17B2 323/4885MAPT 4553/4885

“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.