SCHEMBL5114049

SCHEMBL5114049

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

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
TP53 P04637 1/20 0.53
HPGD P15428 1/20 0.53
GALR1 P47211 1/20 0.51
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PKM P14618 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47

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
SCHEMBL2022466 0.91 POLB (0.56) POLBTP53HPGDGALR1CYP4F2
SCHEMBL11223090 0.89 TP53 (0.59) POLBTP53HPGDGALR1CYP4F2
SCHEMBL5104817 0.88 POLB (0.46) POLBTP53HPGDGALR1CYP4F2
SCHEMBL5114415 0.86 TP53 (0.49) POLBTP53HPGDGALR1CYP4F2
SCHEMBL29617015 0.85 TP53 (0.62) POLBTP53HPGDGALR1CYP4F2
SCHEMBL12553322 0.84 NPC1 (0.57) POLBTP53HPGDGALR1NPC1
SCHEMBL4193217 0.84 TP53 (0.61) POLBTP53HPGDGALR1CYP4F2
SCHEMBL5863201 0.83 TP53 (0.57) POLBTP53HPGDGALR1CYP4F2
SCHEMBL3450090 0.82 POLB (0.51) POLBTP53HPGDGALR1CYP4F2
SCHEMBL5863231 0.81 TP53 (0.56) POLBTP53HPGDGALR1CYP4F2

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 7 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
US-20070135497-A1 Biphenyl derivative or its salt, and pesticide containing it as an active ingredient ISHIHARA SANGYO KAISHA LTD. (JP) 2007-06-14 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-20070149608-A1 3-(4-Benzyloxyphenyl) propanoic acid derivatives GPR119, GPR55, GLP1R POLB 4794/4885TP53 2047/4885HPGD 2124/4885
US-20070135497-A1 Biphenyl derivative or its salt, and pesticide containing it as an active ingredient DDT, HCN1, HCN2 POLB 4392/4885TP53 4581/4885HPGD 4341/4885

“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.