SCHEMBL3369827

SCHEMBL3369827

COCCCOc1cc(C=O)c(Cl)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.62
KDM4E B2RXH2 2/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PRKDC P78527 2/20 0.44
FDPS P14324 1/20 0.43
MAPT P10636 9/20 0.41
HPGD P15428 8/20 0.41
CYP2C9 P11712 5/20 0.41
CYP2C19 P33261 4/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2D6 P10635 1/20 0.41
L3MBTL1 Q9Y468 6/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPSR1 Q6W5P4 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CYP3A4 P08684 2/20 0.40
LMNA P02545 3/20 0.40
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL1049563 0.83 ALDH1A1 (0.66) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL3371154 0.83 ALDH1A1 (0.49) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL1787396 0.83 ALDH1A1 (0.67) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL22146455 0.82 ALDH1A1 (0.47) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL19640183 0.82 PRKDC (0.70) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL7963270 0.79 ALDH1A1 (0.51) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL19640196 0.78 LMNA (0.50) ALDH1A1KDM4ETDP1PRKDCMAPT
SCHEMBL29951681 0.78 ALDH1A1 (0.77) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL13433968 0.78 MAPT (0.48) ALDH1A1KDM4ETSHRTDP1MAPT
SCHEMBL2559619 0.77 ALDH1A1 (1.00) ALDH1A1KDM4ETSHRTDP1PRKDC

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
EP-1863477-B1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2010-11-03 EP disclosed
US-7807709-B2 Organic compounds NOVARTIS AG (CH) 2010-10-05 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 EP disclosed
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 EP disclosed
US-20080194549-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-14 US disclosed
EP-1863477-A1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION Novartis AG (CH) 2007-12-12 EP disclosed
WO-2006100036-A1 3, 4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2006-09-28 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 (2 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-20080194549-A1 Organic Compounds REN, ACE, OTC ALDH1A1 224/4885KDM4E 1370/4885TSHR 2274/4885
US-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 ALDH1A1 348/4885KDM4E 1427/4885TSHR 634/4885

“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.