SCHEMBL13601575

SCHEMBL13601575

Cc1cc(C(=O)O)cc(C)c1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.59
KMO O15229 1/20 0.48
MYC P01106 1/20 0.48
DHODH Q02127 2/20 0.47
TPMT P51580 1/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
TSHR P16473 2/20 0.46
DAO P14920 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
PTGER4 P35408 1/20 0.46
ALDH1A1 P00352 1/20 0.44
EGFR P00533 1/20 0.44
FABP1 P07148 1/20 0.44
P2RY14 Q15391 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL31658247 0.90 TTR (0.53) TTRKMODHODHTPMTEGFR
SCHEMBL27588778 0.89 TTR (0.53) TTRKMOMYCDHODHTPMT
SCHEMBL6564927 0.83 CA12 (0.53) TTRKMODHODHEGFR
Benzoic Acid SCHEMBL19875705 0.83 RXRA (0.49) TTRKMOMYCTPMTPPARG
SCHEMBL13601641 0.82 TTR (0.46) TTRKMODHODHCES2CES1
SCHEMBL8047467 0.82 TPMT (0.59) TTRMYCTPMTTSHRDAO
SCHEMBL11686537 0.81 TTR (0.56) TTRMYCDHODHTPMTALDH1A1
SCHEMBL8334930 0.79 TTR (0.54) TTRKMODHODHTPMTTSHR
Ethylene SCHEMBL10831593 0.78 TPMT (0.54) TTRMYCTPMTTSHRDAO
SCHEMBL2941617 0.78 RXRA (0.66) TTRTPMTTSHRALDH1A1TP53

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-20090298894-A1 AMINO ACID COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2009-12-03 US disclosed
US-20090298894-A1 AMINO ACID COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2009-12-03 US disclosed
WO-2009131090-A1 AMINO ACID COMPOUND 旭化成ファーマ株式会社 (JP) 2009-10-29 WO 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-20090298894-A1 AMINO ACID COMPOUNDS S1PR1, S1PR2, S1PR5 TTR 2102/4885KMO 803/4885MYC 3353/4885

“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.