SCHEMBL1346099

SCHEMBL1346099

COC(=O)Cc1ccc2c(c1)C1(CCO2)OCCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.41
CYP26A1 O43174 1/20 0.41
CYP26B1 Q9NR63 1/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
RARA P10276 1/20 0.39
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 2/20 0.38
SLC7A5 Q01650 1/20 0.37
HSP90AB1 P08238 1/20 0.37
CHEK1 O14757 1/20 0.37
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
LIPE Q05469 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
SCHEMBL8850768 0.84 PDK2 (0.42) PDK2CYP26A1CYP26B1ALDH1A1GAA
SCHEMBL11949156 0.78 PARP1 (0.40) CYP26A1CYP26B1RARARARBRARG
SCHEMBL19926744 0.77 SMN1; SMN2 (0.57) ALDH1A1GAAGFERSMN1; SMN2MAPT
SCHEMBL18101052 0.74 PDK2 (0.42) PDK2ALDH1A1GAAGFERMAPT
SCHEMBL31409466 0.74 SMN1; SMN2 (0.51) ALDH1A1GAAGFERSMN1; SMN2CYP4F2
SCHEMBL4521074 0.73 RAB9A (0.52) ALDH1A1GAAGFERSMN1; SMN2CYP4F2
SCHEMBL26087589 0.73 CHRM2 (0.48) PDK2ALDH1A1GAAGFERSMN1; SMN2
SCHEMBL1162271 0.72 CYP26A1 (0.50) CYP26A1CYP26B1ALDH1A1GAARARA
SCHEMBL30730257 0.71 CTNNB1 (0.47) ALDH1A1GAAGFERSMN1; SMN2CYP4F2
SCHEMBL1744784 0.71 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2KMT2AHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303786-A1 BENZYLPIPERIZINE COMPOUND DAINIPPON SUMITOMO PHARMA CO (JP) 2013-11-14 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-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-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
US-8232405-B2 Benzylpiperizine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-31 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-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
US-20110118312-A1 BENZYLPIPERIZINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-05-19 US disclosed
EP-2239254-A1 BENZYLPIPERIZINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-13 EP 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
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 (4 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-20130303786-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 PDK2 1416/4885CYP26A1 535/4885CYP26B1 562/4885
US-20100113792-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 PDK2 1416/4885CYP26A1 535/4885CYP26B1 562/4885
US-20120259122-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 PDK2 1416/4885CYP26A1 535/4885CYP26B1 562/4885
US-20110118312-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 PDK2 1416/4885CYP26A1 535/4885CYP26B1 562/4885

“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.