SCHEMBL4065406

SCHEMBL4065406

Cc1cc(CCO)c(C#N)c(C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.46
ALDH1A1 P00352 13/20 0.46
HPGD P15428 11/20 0.46
GAA P10253 3/20 0.43
HSD17B10 Q99714 4/20 0.40
GLA P06280 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
PPARG P37231 1/20 0.38
STAT3 P40763 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NR2E3 Q9Y5X4 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL4062552 0.81 ALDH1A1 (0.48) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL4251939 0.81 RECQL (0.46) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL18977330 0.80 ALDH1A1 (0.46) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL25786521 0.79 KDM4E (0.49) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL4064788 0.77 ADORA1 (0.51) KDM4EALDH1A1HPGDHSD17B10PPARG
SCHEMBL4064383 0.77 ALDH1A1 (0.49) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL4067048 0.74 CYP1A2 (0.65) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL4064642 0.73 HSD17B10 (0.48) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL11641734 0.72 KDM4E (0.46) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL4066614 0.71 KDM4E (0.64) KDM4EALDH1A1HPGDGAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601736-B2 Such as 3,4-dihydro-pyrano[3,4-c]pyridine-1-on; cytokine suppressive antiinflammatory drugs; analgesics SK CHEMICALS CO., LTD. (KR) 2009-10-13 US disclosed
EP-1706412-A4 NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK CHEMICALS CO LTD (KR) 2009-03-18 EP disclosed
US-20070254909-A1 Novel Pyridine Derivatives, a Process for Their Preparation and a Pharmaceutical Composition Containing the Same SK CHEMICALS CO., LTD. (KR) 2007-11-01 US disclosed
EP-1706412-A1 NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK Chemicals, Co., Ltd. (KR) 2006-10-04 EP disclosed
WO-2005063768-A1 NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK CHEMICALS, CO., LTD. (KR) 2005-07-14 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 (1 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-20070254909-A1 Novel Pyridine Derivatives, a Process for Their Preparation and a Pharmaceutical Composition Containing the Same IL5, IL1B, P2RY4 KDM4E 405/4885ALDH1A1 1008/4885HPGD 72/4885

“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.