SCHEMBL6136951

SCHEMBL6136951

CCOC(=O)C=Cc1cncc(OCc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 2/20 0.51
PKM P14618 1/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
THRB P10828 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PTGS2 P35354 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
CA12 O43570 3/20 0.48
CA7 P43166 3/20 0.48
CA9 Q16790 3/20 0.48
CA14 Q9ULX7 3/20 0.48
AKR1B10 O60218 2/20 0.48
AKR1B1 P15121 2/20 0.48
CA4 P22748 2/20 0.48
CA6 P23280 2/20 0.48
CA5A P35218 2/20 0.48
CA5B Q9Y2D0 2/20 0.48

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
SCHEMBL6136949 1.00 LMNA (0.51) LMNAALDH1A1KDM4EPKMNPC1
SCHEMBL2187265 0.89 EGFR (0.49) LMNAALDH1A1KDM4EPKMTHRB
SCHEMBL3355331 0.89 EGFR (0.49) LMNAALDH1A1KDM4EPKMTHRB
SCHEMBL1532718 0.88 KDM4E (0.55) LMNAALDH1A1KDM4EPKMTHRB
SCHEMBL2187055 0.85 ALDH1A1 (0.69) LMNAALDH1A1KDM4EPKMRAB9A
SCHEMBL2187050 0.85 ALDH1A1 (0.69) LMNAALDH1A1KDM4EPKMRAB9A
SCHEMBL5757598 0.84 ALDH1A1 (0.72) LMNAALDH1A1KDM4EPKMTHRB
SCHEMBL5757599 0.84 ALDH1A1 (0.72) LMNAALDH1A1KDM4EPKMTHRB
SCHEMBL13308164 0.83 ALDH1A1 (0.55) LMNAALDH1A1KDM4EPKMTHRB
SCHEMBL6539315 0.83 GSK3B (0.68) LMNAKDM4ENPC1RAB9ASMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1120409-B1 2,3-DISUBSTITUTED PYRIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, DRUG COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES FOR THE PREPARATION DAINIPPON PHARMACEUTICAL CO (JP) 2005-01-26 EP disclosed
US-6765095-B2 HETEROCYCLIC IMINES SUCH AS 2-PHENOXY-3-(3-(PYRIDIN-4-YL)-PROPOXY)PYRIDINE, FORMED BY ETHERIFICATION, AMINATION OR SULIFIDING, FOR USE AS PHOSPHODIESTERASE INHIBITORS DAINIPPON PHARMACEUTICAL COMPANY, LIMITED (JP) 2004-07-20 US disclosed
US-6683186-B2 CONDENSATION, ETHERIFICATION; PHOSPHODIESTERASE INHIBITORS; ANTIALLERGENS, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS DAINIPPON PHARMACEUTICAL COMPANY, LIMITED (JP) 2004-01-27 US disclosed
US-20030199554-A1 2,3-Disubstituted pyridine derivative, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor KAWASAKI MOTOJI (JP) 2003-10-23 US disclosed
US-20030195232-A1 2,3-Disubstituted pyridine derivative, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor KAWASAKI MOTOJI (JP) 2003-10-16 US disclosed
US-6555557-B1 2-(3-chlorophenoxy)-3-(3-(3-hydroxypyridin-5-yl)propoxy) -pyridine, for example; phosphodiesterase IV inhibitors DAINIPPON PHARMACEUTICAL COMPANY, LIMITED (JP) 2003-04-29 US disclosed
EP-1120409-A1 2,3-DISUBSTITUTED PYRIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, DRUG COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES FOR THE PREPARATION Dainippon Pharmaceutical Co., Ltd. (JP) 2001-08-01 EP 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-20030199554-A1 2,3-Disubstituted pyridine derivative, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor NOX1, CYP4A11, PDE12 LMNA 1600/4885ALDH1A1 676/4885KDM4E 1694/4885
US-20030195232-A1 2,3-Disubstituted pyridine derivative, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor NOX1, CYP4A11, PDE12 LMNA 1600/4885ALDH1A1 676/4885KDM4E 1694/4885

“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.