SCHEMBL4112997

SCHEMBL4112997

COc1ccc(CNc2ccc(Cl)cc2C(O)c2cccc(OC(F)(F)F)c2OC)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TSHR P16473 8/20 0.39
CYP1A2 P05177 7/20 0.39
CYP3A4 P08684 7/20 0.39
CYP2C19 P33261 7/20 0.39
CYP2D6 P10635 6/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 3/20 0.38
KDM4C Q9H3R0 2/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
USP2 O75604 3/20 0.37
ALOX15 P16050 3/20 0.37
CYP2C9 P11712 2/20 0.37

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
SCHEMBL4109339 0.94 TAS1R3 (0.40) TAS1R3TAS1R1TSHRCYP1A2CYP3A4
SCHEMBL4118845 0.92 TAS1R3 (0.40) TAS1R3TAS1R1TSHRCYP1A2CYP3A4
SCHEMBL4121857 0.92 TAS1R3 (0.44) TAS1R3TAS1R1TSHRCYP1A2CYP3A4
SCHEMBL13775827 0.89 TAS1R3 (0.42) TAS1R3TAS1R1TSHRCYP1A2CYP3A4
SCHEMBL4111974 0.89 ALDH1A1 (0.44) TAS1R3TAS1R1TSHRCYP1A2CYP3A4
SCHEMBL4123165 0.87 KDM4E (0.42) TAS1R3TAS1R1TSHRCYP1A2CYP3A4
SCHEMBL4123383 0.87 TAS1R3 (0.43) TAS1R3TAS1R1TSHRCYP1A2CYP3A4
SCHEMBL4123362 0.86 ALDH1A1 (0.44) TAS1R3TAS1R1TSHRCYP1A2CYP3A4
SCHEMBL4111042 0.86 TSHR (0.42) TAS1R3TAS1R1TSHRCYP1A2CYP3A4
SCHEMBL4119617 0.86 TAS1R3 (0.49) TAS1R3TAS1R1TSHRCYP1A2CYP3A4

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-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
EP-1939205-A1 TRICYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-02 EP 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-20090181942-A1 TRICYCLIC COMPOUNDS FDFT1, COASY, HMGCR TAS1R3 3354/4885TAS1R1 2624/4885TSHR 1672/4885

“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.