SCHEMBL3240610

SCHEMBL3240610

COC(=O)C1CCC(C(C)C)CC1=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
HIF1A Q16665 1/20 0.36
THRB P10828 1/20 0.35
BRD4 O60885 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
FKBP1A P62942 1/20 0.32
MMP2 P08253 1/20 0.31
ANPEP P15144 1/20 0.31
KCNH2 Q12809 1/20 0.30

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
SCHEMBL4548466 0.77 ALDH1A1 (0.38) CYP1A2HIF1ATHRBBRD4ALDH1A1
SCHEMBL6923072 0.77 ALDH1A1 (0.38) CYP1A2HIF1ATHRBBRD4ALDH1A1
SCHEMBL2784766 0.75 BRD4 (0.44) CYP1A2HIF1ABRD4ALDH1A1MMP2
SCHEMBL27868499 0.73 BRD4 (0.42) CYP1A2HIF1ABRD4ALDH1A1MMP2
SCHEMBL27868761 0.72 BRD4 (0.38) CYP1A2HIF1ABRD4ALDH1A1KDM4E
SCHEMBL989622 0.71
SCHEMBL3628762 0.71
SCHEMBL32681696 0.71 KDM4E (0.36) CYP1A2HIF1ATHRBBRD4ALDH1A1
SCHEMBL13882832 0.71 CYP1A2 (0.46) CYP1A2HIF1ABRD4ALDH1A1MMP2
SCHEMBL9237133 0.70 TP53 (0.44) BRD4ALDH1A1ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298289-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS UCB PHARMA, S.A. (BE) 2010-11-25 US claimed
EP-2209775-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS UCB Pharma, S.A. (BE) 2010-07-28 EP claimed
WO-2009047255-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS UCB PHARMA, S.A. (BE) 2009-04-16 WO claimed
US-20100298289-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS UCB PHARMA, S.A. (BE) 2010-11-25 US disclosed
EP-2209775-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS UCB Pharma, S.A. (BE) 2010-07-28 EP disclosed
WO-2009047255-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS UCB PHARMA, S.A. (BE) 2009-04-16 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-20100298289-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS HRH4, HRH2, HRH3 CYP1A2 878/4885HIF1A 1176/4885THRB 355/4885

“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.