SCHEMBL1816745

SCHEMBL1816745

O=Cc1ccc(F)c(F)c1C=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 8/20 0.43
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C9 P11712 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
CYP2D6 P10635 1/20 0.33
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL31685229 0.82 CYP2C9 (0.46) ERN1TDP1MEN1KMT2ACYP2C9
SCHEMBL415893 0.82 CYP2C9 (0.46) ERN1TDP1MEN1KMT2ACYP2C9
SCHEMBL745181 0.80 ERN1 (0.46) ERN1TDP1MEN1LMNATHRB
SCHEMBL1814731 0.77 TDP1 (0.43) ERN1TDP1MEN1LMNATHRB
SCHEMBL548457 0.76 TDP1 (0.50) ERN1TDP1MEN1LMNATHRB
SCHEMBL4293546 0.74 ERN1 (0.42) ERN1TDP1MEN1LMNATHRB
SCHEMBL1359122 0.74 ALDH1A1 (0.50) ERN1TDP1MEN1LMNAKMT2A
SCHEMBL1042430 0.74 ERN1 (0.63) ERN1
SCHEMBL20607708 0.74 ERN1 (0.42) ERN1TDP1MEN1LMNATHRB
SCHEMBL1013026 0.74 ERN1 (0.40) ERN1TDP1MEN1KMT2ACYP2C9

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 5 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
US-20100145106-A1 PRODUCTION PROCESS OF NUCLEUS-HALOGENATED METHYLBENZYL ALCOHOL SHOWA DENKO K.K. (JP) 2010-06-10 US 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 1831/4885TDP1 3007/4885MEN1 110/4885

“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.