SCHEMBL472137

SCHEMBL472137

O=C(CC1=CCCCC1)Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.48
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 6/20 0.46
MEN1 O00255 4/20 0.46
CYP19A1 P11511 1/20 0.46
EPHX1 P07099 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.40
CXCR3 P49682 1/20 0.40

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
SCHEMBL472159 0.79 ALDH1A1 (0.58) HPGDALDH1A1KMT2AMEN1EPHX1
SCHEMBL10548466 0.79 ALDH1A1 (0.38) HPGDALDH1A1EPHX1NPSR1NPC1
SCHEMBL7677780 0.76 MEN1 (0.42) HPGDALDH1A1KMT2AMEN1CYP19A1
SCHEMBL9412365 0.76 HPGD (0.51) HPGDALDH1A1KMT2AMEN1EPHX1
SCHEMBL472083 0.75 ALDH1A1 (0.49) HPGDALDH1A1KMT2AMEN1NPC1
SCHEMBL6964301 0.75 ALDH1A1 (0.40) HPGDALDH1A1EPHX1NPSR1NPC1
SCHEMBL17373966 0.75 ALDH1A1 (0.40) HPGDALDH1A1EPHX1NPSR1NPC1
SCHEMBL971269 0.74 ALDH1A1 (0.47) HPGDALDH1A1KMT2AMEN1EPHX1
SCHEMBL10932780 0.74 GAA (0.47) HPGDALDH1A1KMT2ACYP19A1NPC1
SCHEMBL8034777 0.73 ALDH1A1 (0.33) HPGDALDH1A1EPHX1NPC1RAB9A

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-8664414-B2 Process for producing epoxy compound SHOWA DENKO K.K. (JP) 2014-03-04 US disclosed
US-8466303-B2 Process for production of epoxy compound SHOWA DENKO K.K. (JP) 2013-06-18 US disclosed
US-20120029217-A1 PROCESS FOR PRODUCING EPOXY COMPOUND SHOWA DENKO K.K. (JP) 2012-02-02 US disclosed
EP-2412712-A1 METHOD FOR PRODUCING EPOXY COMPOUND Showa Denko K.K. (JP) 2012-02-01 EP disclosed
US-20110009652-A1 PROCESS FOR PRODUCTION OF EPOXY COMPOUND SHOWA DENKO KK (JP) 2011-01-13 US disclosed
EP-2261219-A1 PROCESS FOR PRODUCTION OF EPOXY COMPOUND Showa Denko K.K. (JP) 2010-12-15 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 (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-20120029217-A1 PROCESS FOR PRODUCING EPOXY COMPOUND NOX4, NOX5, NOXO1 HPGD 263/4885ALDH1A1 1104/4885KMT2A 1235/4885
US-20110009652-A1 PROCESS FOR PRODUCTION OF EPOXY COMPOUND DUOX2, EPX, DUOX1 HPGD 90/4885ALDH1A1 680/4885KMT2A 1160/4885

“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.