SCHEMBL8850768

SCHEMBL8850768

COC(=O)Cc1ccc2c(c1)C(OC)(OC)CCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP26A1 O43174 1/20 0.42
CYP26B1 Q9NR63 1/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
TSHR P16473 3/20 0.39
MAPT P10636 2/20 0.39
HSP90AB1 P08238 1/20 0.38
RARA P10276 1/20 0.38
RARB P10826 1/20 0.38
RARG P13631 1/20 0.38
HPGD P15428 1/20 0.37
KMT2A Q03164 2/20 0.37
LIPE Q05469 1/20 0.37
MEN1 O00255 1/20 0.36
AKR1B1 P15121 1/20 0.36

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
SCHEMBL1162271 0.88 CYP26A1 (0.50) ALDH1A1CYP26A1CYP26B1GAATSHR
SCHEMBL1346099 0.84 PDK2 (0.41) PDK2ALDH1A1CYP26A1CYP26B1GAA
SCHEMBL19926744 0.78 SMN1; SMN2 (0.57) ALDH1A1GAAGFERSMN1; SMN2TSHR
SCHEMBL27891996 0.76 KDM4E (0.41) ALDH1A1GAASMN1; SMN2MAPTHPGD
SCHEMBL31409466 0.75 SMN1; SMN2 (0.51) ALDH1A1GAAGFERSMN1; SMN2CYP4F2
SCHEMBL27798527 0.75 KMT2A (0.42) ALDH1A1GAASMN1; SMN2MAPTRARA
SCHEMBL26087589 0.74 CHRM2 (0.48) PDK2ALDH1A1GAAGFERSMN1; SMN2
SCHEMBL4521074 0.74 RAB9A (0.52) ALDH1A1GAAGFERSMN1; SMN2CYP4F2
SCHEMBL30730257 0.72 CTNNB1 (0.47) ALDH1A1GAAGFERSMN1; SMN2CYP4F2
SCHEMBL1744784 0.72 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1

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 14 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
CN-101939297-B Benzylpiperizine compound DAINIPPON SUMITOMO PHARMA CO 2012-10-17 CN 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
US-8063223-B2 Benzylpiperizine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-11-22 US disclosed
US-8063223-B2 Benzylpiperizine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-11-22 US disclosed
US-20110118312-A1 BENZYLPIPERIZINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-05-19 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
US-20100113792-A1 BENZYLPIPERIZINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-05-06 US disclosed
US-20100113792-A1 BENZYLPIPERIZINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-05-06 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 (5 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 PDK2 3070/4885ALDH1A1 1160/4885CYP26A1 968/4885
US-20130303786-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 PDK2 1416/4885ALDH1A1 1260/4885CYP26A1 535/4885
US-20100113792-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 PDK2 1416/4885ALDH1A1 1260/4885CYP26A1 535/4885
US-20120259122-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 PDK2 1416/4885ALDH1A1 1260/4885CYP26A1 535/4885
US-20110118312-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 PDK2 1416/4885ALDH1A1 1260/4885CYP26A1 535/4885

“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.