SCHEMBL4298760

SCHEMBL4298760

COc1ccc(CNc2ccc(Cl)cc2C(O)c2cccc(OCc3ccccc3)c2OC)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
PPARA Q07869 2/20 0.41
MAOB P27338 2/20 0.40
ABCB1 P08183 2/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
ALOX12 P18054 1/20 0.40
BCHE P06276 1/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
CYP2C19 P33261 2/20 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
SCHEMBL4121857 0.90 TAS1R3 (0.44) TAS1R3TAS1R1ALDH1A1HPGDSMN1; SMN2
SCHEMBL4123470 0.87 ALDH1A1 (0.42) TAS1R3TAS1R1ALDH1A1HPGDSMN1; SMN2
SCHEMBL4119617 0.86 TAS1R3 (0.49) TAS1R3TAS1R1ALDH1A1HPGDSMN1; SMN2
SCHEMBL4123181 0.86 TAS1R3 (0.42) TAS1R3TAS1R1ALDH1A1HPGDSMN1; SMN2
SCHEMBL4123383 0.86 TAS1R3 (0.43) TAS1R3TAS1R1ALDH1A1HPGDSMN1; SMN2
SCHEMBL4111042 0.85 TSHR (0.42) TAS1R3TAS1R1ALDH1A1HPGDSMN1; SMN2
SCHEMBL4123362 0.85 ALDH1A1 (0.44) TAS1R3TAS1R1ALDH1A1HPGDSMN1; SMN2
SCHEMBL4112997 0.84 TAS1R3 (0.39) TAS1R3TAS1R1ALDH1A1HPGDSMN1; SMN2
SCHEMBL4123165 0.84 KDM4E (0.42) TAS1R3TAS1R1ALDH1A1HPGDSMN1; SMN2
SCHEMBL4122265 0.84 TAS1R3 (0.44) TAS1R3TAS1R1ALDH1A1HPGDSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239839-A1 RECEPTOR ANTAGONIST TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-24 US disclosed
US-20070129348-A1 Receptor antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-07 US disclosed
EP-1623710-A1 RECEPTOR ANTAGONIST Takeda Pharmaceutical Company Limited (JP) 2006-02-08 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 (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-20090239839-A1 RECEPTOR ANTAGONIST FSHR, NR0B2, NR4A3 TAS1R3 470/4885TAS1R1 780/4885ALDH1A1 2966/4885
US-20070129348-A1 Receptor antagonist FSHR, NR0B2, NR4A3 TAS1R3 470/4885TAS1R1 780/4885ALDH1A1 2966/4885

“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.