SCHEMBL5114415

SCHEMBL5114415

CCOC(=O)c1cccc(-c2c(C)cc(CBr)cc2C)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
CYP4F2 P78329 2/20 0.49
CYP4A11 Q02928 2/20 0.49
NPC1 O15118 2/20 0.48
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GALR1 P47211 1/20 0.47
MEP1B Q16820 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL5114049 0.86 POLB (0.53) TP53POLBHPGDCYP4F2CYP4A11
SCHEMBL2022466 0.86 POLB (0.56) TP53POLBHPGDCYP4F2CYP4A11
SCHEMBL1993886 0.85 CYP4F2 (0.56) TP53POLBHPGDCYP4F2CYP4A11
SCHEMBL11223090 0.84 TP53 (0.59) TP53POLBHPGDCYP4F2CYP4A11
SCHEMBL5863216 0.83 NPC1 (0.51) TP53POLBHPGDCYP4F2CYP4A11
SCHEMBL5104817 0.83 POLB (0.46) TP53POLBHPGDCYP4F2CYP4A11
SCHEMBL4508966 0.81 CYP4F2 (0.66) CYP4F2CYP4A11NPC1ALDH1A1MAPT
SCHEMBL29617015 0.81 TP53 (0.62) TP53POLBHPGDCYP4F2CYP4A11
SCHEMBL5152202 0.80 POLB (0.50) TP53POLBHPGDCYP4F2CYP4A11
SCHEMBL4193217 0.79 TP53 (0.61) TP53POLBHPGDCYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456218-B2 3-(4-benzyloxyphenyl) propanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-25 US disclosed
US-7456218-B2 3-(4-benzyloxyphenyl) propanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-25 US disclosed
US-7456218-B2 3-(4-benzyloxyphenyl) propanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-25 US disclosed
US-20070149608-A1 3-(4-Benzyloxyphenyl) propanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 US disclosed
US-20070149608-A1 3-(4-Benzyloxyphenyl) propanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 US disclosed
US-20070149608-A1 3-(4-Benzyloxyphenyl) propanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 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-20070149608-A1 3-(4-Benzyloxyphenyl) propanoic acid derivatives GPR119, GPR55, GLP1R TP53 2047/4885POLB 4794/4885HPGD 2124/4885

“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.