SCHEMBL1162271

SCHEMBL1162271

COC1(OC)CCOc2ccc(CC(=O)O)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 2/20 0.50
CYP26B1 Q9NR63 1/20 0.50
AKR1B1 P15121 1/20 0.42
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PTGS1 P23219 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.38
RAB9A P51151 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
CA2 P00918 1/20 0.37
RARA P10276 1/20 0.37
RARB P10826 1/20 0.37
RARG P13631 1/20 0.37

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
SCHEMBL8850768 0.88 PDK2 (0.42) CYP26A1CYP26B1AKR1B1GAAALDH1A1
SCHEMBL6146899 0.82 CYP26A1 (0.69) CYP26A1CYP26B1AKR1B1RXRARXRB
SCHEMBL28840697 0.81 CYP26A1 (0.51) CYP26A1CYP26B1AKR1B1GAAALDH1A1
SCHEMBL6146444 0.79 CYP26A1 (0.50) CYP26A1CYP26B1AKR1B1GAAALDH1A1
SCHEMBL30148890 0.77 CYP26A1 (0.48) CYP26A1CYP26B1AKR1B1GAAALDH1A1
SCHEMBL27798527 0.76 KMT2A (0.42) GAAALDH1A1TDP1RAB9ACA2
SCHEMBL1346812 0.75 PTGS2 (0.58) AKR1B1PTGS1AKR1C3AKR1C2TSHR
SCHEMBL27891996 0.74 KDM4E (0.41) GAAALDH1A1RAB9A
SCHEMBL17316518 0.73 CYP26A1 (0.52) CYP26A1CYP26B1GAAALDH1A1PTGS1
SCHEMBL28953081 0.72 CYP26A1 (0.46) CYP26A1CYP26B1AKR1B1GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778970-B2 Benzyl piperidine compound DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-07-15 US disclosed
US-20130303786-A1 BENZYLPIPERIZINE COMPOUND DAINIPPON SUMITOMO PHARMA CO (JP) 2013-11-14 US disclosed
US-8557998-B2 Benzylpiperizine compound DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2013-10-15 US disclosed
US-20120259122-A1 BENZYLPIPERIZINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-10-11 US disclosed
US-8232405-B2 Benzylpiperizine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-31 US disclosed
EP-2463286-A1 BENZYL PIPERIDINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-06-13 EP disclosed
US-20120130077-A1 BENZYL PIPERIDINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-24 US disclosed
WO-2011016468-A1 BENZYL PIPERIDINE COMPOUND 大日本住友製薬株式会社 (JP) 2011-02-10 WO disclosed
EP-2239254-A1 BENZYLPIPERIZINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-13 EP disclosed
WO-2009099087-A1 BENZYLPIPERIZINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-08-13 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 (3 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-20120130077-A1 BENZYL PIPERIDINE COMPOUND HTR1D, HTR1A, HTR1B CYP26A1 968/4885CYP26B1 1568/4885AKR1B1 2306/4885
US-20130303786-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 CYP26A1 535/4885CYP26B1 562/4885AKR1B1 1228/4885
US-20120259122-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 CYP26A1 535/4885CYP26B1 562/4885AKR1B1 1228/4885

“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.