SCHEMBL2233399

SCHEMBL2233399

O=Cc1ccc(CCCOc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
DRD2 P14416 2/20 0.56
DRD4 P21917 2/20 0.56
DRD3 P35462 2/20 0.56
FFAR1 O14842 2/20 0.55
PPARG P37231 2/20 0.52
PPARA Q07869 1/20 0.52
S1PR1 P21453 5/20 0.51
S1PR3 Q99500 3/20 0.51
PTPN1 P18031 1/20 0.51
RAB9A P51151 1/20 0.50
KCNA3 P22001 1/20 0.50
GAA P10253 1/20 0.49

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
SCHEMBL947314 0.93 FFAR1 (0.59) HPGDALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL465539 0.91 HPGD (0.69) HPGDALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3083583 0.88 FFAR1 (0.60) HPGDALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3843475 0.87 FFAR1 (0.59) HPGDALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL9098252 0.87 FFAR1 (0.59) HPGDALDH1A1LMNAMAPTSMN1; SMN2
Hydrocinnamyl Alcohol SCHEMBL3852895 0.86 LTA4H (0.59) HPGDALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL465524 0.86 HPGD (0.67) HPGDALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3562374 0.85 KCNA3 (0.64) HPGDALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL465467 0.84 ALDH1A1 (0.65) HPGDALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL465533 0.84 ALDH1A1 (0.65) HPGDALDH1A1LMNAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102791690-B As the disubstituted pyridines derivative of anticarcinogen OTSUKA PHARMACEUTICAL CO.,LTD. (JP) 2015-12-02 CN disclosed
EP-2528897-B9 DI-SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMA CO LTD (JP) 2015-04-22 EP disclosed
EP-2528897-B1 DI-SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMA CO LTD (JP) 2014-10-15 EP disclosed
US-8722663-B2 Di-substituted pyridine derivatives as anticancers OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-05-13 US disclosed
EP-2528897-A1 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS Otsuka Pharmaceutical Co., Ltd. (JP) 2012-12-05 EP disclosed
CN-102791690-A Di-substituted pyridine derivatives as anticancers OTSUKA PHARMA CO LTD 2012-11-21 CN disclosed
US-20120283242-A1 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-11-08 US disclosed
US-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 US disclosed
WO-2011093524-A9 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-12-01 WO disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 US disclosed
WO-2011093524-A1 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-04 WO disclosed
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 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 (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-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 HPGD 559/4885ALDH1A1 2104/4885LMNA 1559/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT HPGD 523/4885ALDH1A1 2078/4885LMNA 1587/4885
US-20120283242-A1 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS TPD52L2, CCNE2, CDK2 HPGD 652/4885ALDH1A1 314/4885LMNA 2547/4885

“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.