SCHEMBL9104617

SCHEMBL9104617

COc1ccccc1-c1ccc(CP(=O)(O)O)nc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.48
HIF1A Q16665 1/20 0.46
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
PTPN5 P54829 1/20 0.44
SYK P43405 1/20 0.42
AURKB Q96GD4 1/20 0.42
INCENP Q9NQS7 1/20 0.42
PTPRC P08575 1/20 0.41
PTPN1 P18031 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
GRM5 P41594 1/20 0.41
WNT3A P56704 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
SCHEMBL9888669 0.84 CCNT1 (0.47) EGLN1HIF1APDGFRBPDGFRA
SCHEMBL17688142 0.81 PCSK9 (0.42) HDAC6
SCHEMBL16499213 0.78 HIF1A (0.46) HIF1A
SCHEMBL14829648 0.78 SREBF2 (0.48) EGLN1HIF1APDGFRBPDGFRASYK
SCHEMBL14769155 0.77 PGK1 (0.47) HIF1A
SCHEMBL1585625 0.76 PGK1 (0.46) HIF1A
SCHEMBL1585621 0.76 PGK1 (0.46) HIF1A
SCHEMBL16514556 0.75 PTPN5 (0.50) EGLN1HIF1APTPN5
SCHEMBL14771822 0.74 PGK1 (0.43)
SCHEMBL24510846 0.73 ENPP1 (0.62)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142690-A1 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-07 US disclosed
WO-2011162562-A2 [6+5] FUSED BICYCLES AS A THROMBIN ANTAGONIST, PROCESS FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE BICYCLES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-12-29 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-20120142690-A1 Substituted piperidines VHL, PIR, PIGO EGLN1 735/4885HIF1A 126/4885PDGFRB 43/4885

“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.