SCHEMBL1808322

SCHEMBL1808322

O=Cc1cc(F)c(C=O)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 8/20 0.40
CYP2C9 P11712 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MIF P14174 1/20 0.31
PRKDC P78527 1/20 0.30
CYP2D6 P10635 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA13 Q8N1Q1 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
SCHEMBL10497746 0.82 CA1 (0.41) ERN1CYP2C9CYP3A4CYP2C19CYP2D6
SCHEMBL1816310 0.80 ERN1 (0.40) ERN1MEN1LMNATHRBBLM
SCHEMBL1809938 0.79 ERN1 (0.36) ERN1CYP2C9CYP3A4CYP2C19MEN1
SCHEMBL295466 0.79 ERN1 (0.43) ERN1MEN1LMNATHRBBLM
SCHEMBL1591447 0.76 PRKDC (0.32) ERN1CYP2C9CYP3A4CYP2C19PRKDC
SCHEMBL1349494 0.76 CYP3A4 (0.38) ERN1CYP2C9CYP3A4CYP2C19
SCHEMBL1591828 0.76 ALDH1A1 (0.39) CYP2C9CYP3A4CYP2C19MEN1KMT2A
SCHEMBL11763496 0.75 CYP3A4 (0.37) ERN1CYP2C9CYP3A4CYP2C19
SCHEMBL6852392 0.73 ERN1 (0.46) ERN1
SCHEMBL3693663 0.73 ERN1 (0.59) ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1915331-B1 PRODUCTION PROCESS OF NUCLEUS-HALOGENATED METHYLBENZYL ALCOHOL SHOWA DENKO KK (JP) 2013-07-10 EP disclosed
US-7939695-B2 Production process of nucleus-halogenated methylbenzyl alcohol SHOWA DENKO K.K. (JP) 2011-05-10 US disclosed
CN-101193843-B Production process of nucleus-halogenated methylbenzyl alcohol SHOWA DENKO KK 2011-05-04 CN disclosed
US-20100145106-A1 PRODUCTION PROCESS OF NUCLEUS-HALOGENATED METHYLBENZYL ALCOHOL SHOWA DENKO K.K. (JP) 2010-06-10 US disclosed
CN-101193843-A Production process of nucleus-halogenated methylbenzyl alcohol SHOWA DENKO KK (JP) 2008-06-04 CN disclosed
EP-1915331-A2 PRODUCTION PROCESS OF NUCLEUS-HALOGENATED METHYLBENZYL ALCOHOL Showa Denko K.K. (JP) 2008-04-30 EP disclosed
WO-2006137348-A2 PRODUCTION PROCESS OF NUCLEUS-HALOGENATED METHYLBENZYL ALCOHOL SHOWA DENKO K.K. (JP) 2006-12-28 WO 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-20100145106-A1 PRODUCTION PROCESS OF NUCLEUS-HALOGENATED METHYLBENZYL ALCOHOL NPM1, MED1, KPNA2 ERN1 1831/4885CYP2C9 1512/4885CYP3A4 480/4885

“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.