SCHEMBL1814731

SCHEMBL1814731

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.43
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
BLM P54132 1/20 0.33
ERN1 O75460 4/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NSD2 O96028 1/20 0.30
POLB P06746 1/20 0.30
PKM P14618 1/20 0.30
APEX1 P27695 1/20 0.30
CASP3 P42574 1/20 0.30
RECQL P46063 1/20 0.30
CASP6 P55212 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
USP2 O75604 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
SCHEMBL14690948 0.84 ALDH1A1 (0.54) TDP1ALDH1A1MEN1KMT2AUSP2
SCHEMBL17842843 0.82 TDP1 (0.46) TDP1ALDH1A1MEN1KMT2ALMNA
SCHEMBL615646 0.80 ALDH1A1 (0.44) TDP1ALDH1A1MEN1KMT2ALMNA
SCHEMBL30207774 0.80 TDP1 (0.45) TDP1ALDH1A1MEN1KMT2ALMNA
SCHEMBL20088344 0.80 TDP1 (0.45) TDP1ALDH1A1MEN1KMT2ALMNA
SCHEMBL29447959 0.80 ALDH1A1 (0.44) TDP1ALDH1A1MEN1KMT2ALMNA
SCHEMBL1816745 0.77 ERN1 (0.43) TDP1MEN1KMT2ALMNATHRB
SCHEMBL24358167 0.77 TDP1 (0.42) TDP1ALDH1A1MEN1KMT2ALMNA
SCHEMBL14691491 0.77 ALDH1A1 (0.41) TDP1ALDH1A1MEN1KMT2ALMNA
SCHEMBL17295769 0.77 TDP1 (0.42) TDP1ALDH1A1MEN1KMT2ALMNA

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 TDP1 3007/4885ALDH1A1 1151/4885MEN1 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.