SCHEMBL12467258

SCHEMBL12467258

NCC(=O)CC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.47
HPGD P15428 2/20 0.47
KMT2A Q03164 1/20 0.47
CYP2D6 P10635 1/20 0.42
ALOX5 P09917 2/20 0.42
SLC1A3 P43003 2/20 0.39
SLC1A2 P43004 2/20 0.39
SLC1A1 P43005 2/20 0.39
EPHX2 P34913 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
ADH1B P00325 1/20 0.37
ADH1C P00326 1/20 0.37
ADH1A P07327 1/20 0.37
ADH4 P08319 1/20 0.37
ADH7 P40394 1/20 0.37

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
SCHEMBL18219144 0.87
SCHEMBL7945281 0.85 EPHX1 (0.54) EPHX1HPGDKMT2AALOX5SLC1A3
SCHEMBL1148328 0.85 EPHX1 (0.54) EPHX1HPGDKMT2AALOX5SLC1A3
SCHEMBL3116167 0.82 EPHX1 (0.50) EPHX1HPGDKMT2AALOX5SLC1A3
SCHEMBL11974545 0.80 EPHX1 (0.56) EPHX1HPGDKMT2ACYP2D6ALOX5
SCHEMBL19606259 0.80 P2RX7 (0.33) EPHX1HPGDKMT2AALOX5SLC1A3
SCHEMBL502374 0.78 EPHX1 (0.48) EPHX1HPGDKMT2AALOX5SLC1A3
SCHEMBL9159626 0.77 HPGD (0.50) EPHX1HPGDKMT2ACYP2D6ALOX5
SCHEMBL18425150 0.77 EPHX1 (0.48) EPHX1HPGDKMT2ACYP2D6ALOX5
SCHEMBL9298439 0.77 EPHX1 (0.52) EPHX1HPGDKMT2AALOX5EPHX2

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-20180179187-A1 Nrf2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2018-06-28 US disclosed
US-20140228409-A1 CONDENSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-14 US 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-20180179187-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 EPHX1 821/4885HPGD 275/4885KMT2A 1359/4885
US-20140228409-A1 CONDENSED HETEROCYCLIC COMPOUND RORC, RORB, RORA EPHX1 2492/4885HPGD 1569/4885KMT2A 180/4885

“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.