SCHEMBL3236730

SCHEMBL3236730

COC(=O)C1CCCC(C)(C)C1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ KMT2A Q03164 1/20 0.35
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ HTT P42858 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ OPRK1 P41145 1/20 0.31

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
SCHEMBL4128790 0.95 CYP1A2 (0.36) CYP1A2HIF1AKMT2AATML3MBTL1
SCHEMBL22092594 0.89 CYP1A2 (0.39) CYP1A2HIF1AKMT2AATML3MBTL1
SCHEMBL11004912 0.89 CYP1A2 (0.39) CYP1A2HIF1AKMT2AATML3MBTL1
SCHEMBL3339309 0.82 CYP1A2 (0.37) CYP1A2HIF1AKMT2AATML3MBTL1
SCHEMBL4121606 0.81 CYP1A2 (0.36) CYP1A2HIF1AKMT2AATML3MBTL1
SCHEMBL8430039 0.81 CYP1A2 (0.36) CYP1A2HIF1AKMT2AATML3MBTL1
SCHEMBL3399318 0.81 CYP1A2 (0.36) CYP1A2HIF1AKMT2AATML3MBTL1
SCHEMBL22175290 0.79 ALDH1A1 (0.33) ALDH1A1
SCHEMBL3813382 0.77 KDM4E (0.37) CYP1A2HIF1AALDH1A1HTTTSHR
SCHEMBL21662997 0.76 POLB (0.30) TSHR

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-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
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 — — US disclosed
WO-2009047255-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS UCB PHARMA, S.A. (BE) 2009-04-16 — — WO disclosed
CN-101360498-A Calcilytic compounds SMITHKLINE BEECHAM CORP (US) 2009-02-04 — — CN 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-20090137557-A1 Calcilytic Compounds CALCR, SOST, CALCB CYP1A2 3432/4885HIF1A 4628/4885KMT2A 4875/4885
US-20100298289-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS HRH4, HRH2, HRH3 CYP1A2 878/4885HIF1A 1176/4885KMT2A 802/4885

“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.

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