SCHEMBL4199980

SCHEMBL4199980

CCCCCCCCCCCCC1CC=CCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.39
CYP1A2 P05177 5/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.35
PKM P14618 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
LSS P48449 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.33
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL9210680 1.00 EPHX1 (0.39) EPHX1CYP1A2ALDH1A1KDM4EPKM
SCHEMBL6053256 1.00 EPHX1 (0.39) EPHX1CYP1A2ALDH1A1KDM4EPKM
SCHEMBL28637977 1.00 EPHX1 (0.39) EPHX1CYP1A2ALDH1A1KDM4EPKM
SCHEMBL1524898 0.98 CYP1A2 (0.40) EPHX1CYP1A2ALDH1A1KDM4EPKM
SCHEMBL1524848 0.92 CYP1A2 (0.46) CYP1A2ALDH1A1KDM4EPKMCYP2D6
SCHEMBL11075927 0.89 MAPK1 (0.37) ALDH1A1KDM4EPKMTDP1MEN1
SCHEMBL2138060 0.89 MAPK1 (0.37) ALDH1A1KDM4EPKMTDP1MEN1
SCHEMBL2136195 0.87 MAPK1 (0.38) CYP1A2ALDH1A1KDM4EPKMCYP2D6
SCHEMBL25269130 0.83 EPHX1 (0.42) EPHX1CYP1A2ALDH1A1PKMLSS
SCHEMBL6718471 0.83 EPHX1 (0.42) EPHX1CYP1A2ALDH1A1PKMLSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 492/4885CYP1A2 331/4885ALDH1A1 740/4885

“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.