SCHEMBL4190845

SCHEMBL4190845

CCCCCCC1CCCC2OC12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.41
ALDH1A1 P00352 1/20 0.39
ALOX5 P09917 1/20 0.36
CYP1A2 P05177 4/20 0.35
S1PR2 O95136 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33

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
SCHEMBL4190841 1.00 EPHX1 (0.41) EPHX1ALDH1A1ALOX5CYP1A2S1PR2
SCHEMBL24567416 1.00 EPHX1 (0.41) EPHX1ALDH1A1ALOX5CYP1A2S1PR2
SCHEMBL9643577 0.98 EPHX1 (0.38) EPHX1ALDH1A1ALOX5CYP1A2S1PR2
SCHEMBL28738544 0.92 CYP1A2 (0.39) EPHX1CYP1A2
SCHEMBL12437882 0.84 CA1 (0.43)
SCHEMBL30645254 0.84 EPHX1 (0.32) EPHX1ALDH1A1
SCHEMBL29385123 0.80 EPHX1 (0.48) EPHX1ALDH1A1ALOX5CYP1A2S1PR2
SCHEMBL29559353 0.80 EPHX1 (0.48) EPHX1ALDH1A1ALOX5CYP1A2S1PR2
SCHEMBL28380195 0.80 EPHX1 (0.48) EPHX1ALDH1A1ALOX5CYP1A2S1PR2
SCHEMBL28249807 0.80 EPHX1 (0.48) EPHX1ALDH1A1ALOX5CYP1A2S1PR2

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
CN-101035833-B Cyclohexene oxide compound with cyclohexyl or long-chain alkyl and application thereof TOAGOSEI CO LTD 2010-09-01 CN disclosed
US-7612123-B2 Cyclohexene oxide compound having cyclohexyl group or long-chain alkyl group, and use thereof TOAGOSEI CO., LTD. (JP) 2009-11-03 US disclosed
EP-1798251-B1 CYCLOHEXENE OXIDE COMPOUND HAVING CYCLOHEXYL GROUP OR BRANCHED LONG-CHAIN ALKYL GROUP AND USE THEREOF TOAGOSEI CO LTD (JP) 2009-02-25 EP disclosed
US-20080108725-A1 Cyclohexene Oxide Compound Having Cyclohexyl Group or Long-Chain Alkyl Group, and Use Thereof TOAGOSEI CO., LTD. (JP) 2008-05-08 US disclosed
CN-101035833-A Cyclohexene oxide compound with cyclohexyl or long-chain alkyl and application thereof TOAGOSEI CO LTD (JP) 2007-09-12 CN disclosed
EP-1798251-A1 CYCLOHEXENE OXIDE COMPOUND HAVING CYCLOHEXYL GROUP OR LONG-CHAIN ALKYL GROUP AND USE THEREOF TOAGOSEI CO., LTD. (JP) 2007-06-20 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 (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-20080108725-A1 Cyclohexene Oxide Compound Having Cyclohexyl Group or Long-Chain Alkyl Group, and Use Thereof RAD51, HEATR1, DCXR EPHX1 492/4885ALDH1A1 740/4885ALOX5 17/4885

“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.