SCHEMBL472076

SCHEMBL472076

O=C(O)c1[c]cc(C2(c3ccccc3)CC=CCC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.36
MEN1 O00255 1/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.33
AKR1C1 Q04828 1/20 0.32
OPRM1 P35372 2/20 0.31
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL472158 0.79 CCR2 (0.31)
SCHEMBL22661007 0.76 OPRM1 (0.46) HDAC4MEN1CYP2C9KMT2AOPRM1
SCHEMBL472129 0.76 SLC6A4 (0.35) SLC6A4SLC6A3
SCHEMBL5968850 0.66 ESR2 (0.56) MEN1KMT2ASLC6A4SLC6A3
SCHEMBL4023309 0.61 MAPT (0.42) MEN1CYP2C9KMT2A
SCHEMBL8439272 0.61 RXRA (0.58) MEN1CYP2C9KMT2AAKR1C1OPRM1
Bicarbonate SCHEMBL7575333 0.61 MEN1 (0.60) HDAC4MEN1CYP2C9KMT2AAKR1C1
SCHEMBL9682167 0.60 MEN1 (0.48) HDAC4MEN1CYP2C9KMT2AAKR1C1
SCHEMBL2780243 0.58 TSHR (0.50)
SCHEMBL971142 0.58 SLC6A4 (0.36) HDAC4MEN1CYP2C9KMT2AOPRM1

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 HDAC4 456/4885MEN1 3910/4885CYP2C9 264/4885
US-20110009652-A1 PROCESS FOR PRODUCTION OF EPOXY COMPOUND DUOX2, EPX, DUOX1 HDAC4 1402/4885MEN1 4361/4885CYP2C9 303/4885

“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.