SCHEMBL13601634

SCHEMBL13601634

Cc1cc(C(=O)O)ccc1-c1ccoc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH5 P11766 2/20 0.49
P2RY14 Q15391 1/20 0.48
RARB P10826 3/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
PTPN7 P35236 2/20 0.41
MYC P01106 1/20 0.41
ESR1 P03372 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 1/20 0.41
RARA P10276 2/20 0.41
RARG P13631 2/20 0.41
GRM1 Q13255 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL13601642 0.80 P2RY14 (0.50) P2RY14ALDH1A1PTPN7MYCESR1
SCHEMBL11507830 0.79 RARB (0.63) ADH5RARBKDM4EALDH1A1GAA
SCHEMBL68014 0.78 ALDH1A1 (0.57) ADH5RARBKDM4EALDH1A1GAA
SCHEMBL121338 0.78 ESR2 (0.58) ADH5RARBKDM4EALDH1A1GAA
SCHEMBL14540358 0.78 RARB (0.61) ADH5RARBKDM4EALDH1A1GAA
SCHEMBL29707122 0.78 ESR2 (0.58) ADH5RARBKDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL4352471 0.77 ALDH1A1 (0.56) ADH5RARBKDM4EALDH1A1GAA
SCHEMBL31658246 0.76 AKR1C3 (0.61) ADH5RARBKDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL5753140 0.76 ESR2 (0.56) ADH5RARBKDM4EALDH1A1GAA
SCHEMBL18420233 0.75 P2RY14 (0.40) P2RY14ALDH1A1CNR2

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 2 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

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 ADH5 4503/4885P2RY14 1055/4885RARB 3166/4885

“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.