SCHEMBL3214124

SCHEMBL3214124

CN(C)Cc1cc(Cl)cc(Cl)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.50
ALDH1A1 P00352 5/20 0.50
CYP2C9 P11712 4/20 0.50
CYP1A2 P05177 4/20 0.50
CYP2C19 P33261 3/20 0.50
CYP3A4 P08684 3/20 0.50
CYP2D6 P10635 2/20 0.50
HIF1A Q16665 2/20 0.50
TSHR P16473 2/20 0.50
RECQL P46063 2/20 0.50
HSP90AA1 P07900 1/20 0.49
ALOX15 P16050 3/20 0.48
HTT P42858 3/20 0.48
MAPK1 P28482 2/20 0.48
MEN1 O00255 3/20 0.48
POLB P06746 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
THRB P10828 2/20 0.48

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
SCHEMBL16153732 0.84 CYP1A2 (0.45) HSD17B10ALDH1A1CYP2C9CYP1A2CYP2C19
SCHEMBL12305659 0.83 CYP1A2 (0.53) HSD17B10ALDH1A1CYP2C9CYP1A2CYP2C19
SCHEMBL13219272 0.78 HSP90AA1 (0.44) HSD17B10ALDH1A1CYP2C9CYP1A2CYP2C19
SCHEMBL13888086 0.77 HSD17B10 (0.56) HSD17B10ALDH1A1CYP2C9CYP1A2CYP2C19
SCHEMBL3089365 0.77 ALDH1A1 (0.45) HSD17B10ALDH1A1CYP2C9CYP1A2CYP2C19
SCHEMBL11505512 0.76 HSD17B10 (0.62) HSD17B10ALDH1A1CYP2C9CYP1A2CYP2C19
SCHEMBL67608 0.76 HSP90AA1 (0.74) HSD17B10ALDH1A1CYP2C9CYP1A2CYP2C19
SCHEMBL11591649 0.76 CHEK1 (0.56) HSD17B10ALDH1A1CYP2C9CYP1A2CYP2C19
SCHEMBL14871014 0.74 EGFR (0.41) HSD17B10ALDH1A1CYP2C9CYP1A2CYP2C19
SCHEMBL29577605 0.74 HSD17B10 (0.59) HSD17B10ALDH1A1CYP2C9CYP1A2CYP2C19

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
CN-102424654-A In-situ synthesis method of 2, 4-dichloro-6-dimethylaminomethylphenol UNIV GUILIN TECH GUT 2012-04-25 CN disclosed
CN-102424654-A In-situ synthesis method of 2, 4-dichloro-6-dimethylaminomethylphenol UNIV GUILIN TECH GUT 2012-04-25 CN disclosed
US-20100056515-A1 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 US disclosed
EP-2088861-A2 BENZIMIDAZOLE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-08-19 EP disclosed
WO-2008051533-A2 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO disclosed
EP-0153476-B1 PROCESS FOR THE PREPARATION OF HYDROXYPHENYLACETIC-ACID AMIDES BASF Aktiengesellschaft (DE) 1986-10-15 EP disclosed
EP-0153476-A1 Process for the preparation of hydroxyphenylacetic-acid amides BASF Aktiengesellschaft (DE) 1985-09-04 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 (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-20100056515-A1 BENZIMIDAZOLE COMPOUNDS HRH4, SSTR5, CNR1 HSD17B10 1266/4885ALDH1A1 1562/4885CYP2C9 457/4885

“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.