SCHEMBL3203026

SCHEMBL3203026

Oc1c(Cl)cc(OC(F)(F)F)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.49
AKR1C1 Q04828 1/20 0.49
HSD17B10 Q99714 3/20 0.44
TTR P02766 2/20 0.44
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
RECQL P46063 1/20 0.44
THRB P10828 1/20 0.41
WDR5 P61964 1/20 0.40
CYP2C9 P11712 2/20 0.39
CYP1A2 P05177 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
GPR3 P46089 1/20 0.35

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
SCHEMBL8489664 0.86 AKR1C2 (0.43) AKR1C2AKR1C1HSD17B10TTRTSHR
SCHEMBL3205177 0.86 AKR1C2 (0.43) AKR1C2AKR1C1HSD17B10TTRTSHR
SCHEMBL10698454 0.84 HSD17B10 (0.42) AKR1C2AKR1C1HSD17B10TTRTSHR
SCHEMBL7928085 0.81 ALDH1A1 (0.39) AKR1C2AKR1C1HSD17B10ALDH1A1CYP3A4
SCHEMBL11274922 0.79 GPR3 (0.36) AKR1C2AKR1C1RECQLCYP2C9MAPK1
SCHEMBL1040929 0.79 GPR3 (0.41) AKR1C2AKR1C1RECQLCYP2C9MAPK1
SCHEMBL25372577 0.77 GPR3 (0.35) AKR1C2AKR1C1RECQLCYP2C9MAPK1
SCHEMBL9224313 0.77 GPR3 (0.35) AKR1C2AKR1C1RECQLWDR5CYP2C9
SCHEMBL12536048 0.77 GPR3 (0.37) AKR1C2AKR1C1TSHRALDH1A1CYP3A4
SCHEMBL342267 0.77 ALDH1A1 (0.44) AKR1C2AKR1C1HSD17B10ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4700006-A FUNGICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1987-10-13 US claimed
JP-61194042-A None JP 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-0272533-A2 Substituted phenoxypyridines BAYER AG (DE) 1988-06-29 EP disclosed
US-4700006-A FUNGICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1987-10-13 US disclosed
US-4609669-A AGRICULTURE, HORTICULTURE NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-09-02 US disclosed
JP-S61194042-A NOVEL SUBSTITUTED PHENOL NIPPON TOKUSHU NOYAKU SEIZO KK 1986-08-28 JP disclosed
EP-0175188-A1 Carbamoylimidazole derivatives NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-03-26 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 AKR1C2 757/4885AKR1C1 654/4885HSD17B10 1266/4885

“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.