SCHEMBL12430465

SCHEMBL12430465

O=C(CF)c1ccc(Br)c(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.44
GSK3B P49841 3/20 0.38
PTPN1 P18031 4/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
NOTUM Q6P988 1/20 0.35
TTR P02766 1/20 0.34
MAPT P10636 1/20 0.33
CES2 O00748 1/20 0.33

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
SCHEMBL246840 0.84 ACHE (0.42) ACHEGSK3BPTPN1ALDH1A1CES2
SCHEMBL4949504 0.84 ACHE (0.42) ACHEGSK3BPTPN1ALDH1A1HPGD
SCHEMBL9821005 0.82 ACHE (0.41) ACHEGSK3BPTPN1ALDH1A1HPGD
SCHEMBL3995406 0.81 GSK3B (0.59) GSK3BPTPN1
SCHEMBL11548269 0.79 GSK3B (0.38) GSK3BPTPN1ALDH1A1HPGDHDAC3
SCHEMBL14419584 0.79 GSK3B (0.52) GSK3BALDH1A1MAPTTHRATHRB
SCHEMBL27803947 0.79 ATM (0.49) ALDH1A1HPGDMAPTTHRATHRB
SCHEMBL27549258 0.76 KDM4E (0.46) ACHEGSK3BPTPN1ALDH1A1HPGD
SCHEMBL691537 0.76 GSK3B (0.64) GSK3BPTPN1HPGDHDAC3HDAC4
SCHEMBL16961352 0.75 ESR1 (0.33) ALDH1A1HPGDNOTUMESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1741693-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE ALCOHOLS NAGOYA IND SCIENCE RES INST (JP) 2011-08-03 EP disclosed
US-20070225528-A1 Process for Producing Optically Active Alcohol NAGOYA INDUSTRIAL SCIENCE RESEARCH CENTER (JP) 2007-09-27 US disclosed
EP-1741693-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE ALCOHOLS Nagoya Industrial Science Research Institute (JP) 2007-01-10 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-20070225528-A1 Process for Producing Optically Active Alcohol ADH1C, ADH1A, ADH5 ACHE 2386/4885GSK3B 2227/4885PTPN1 4680/4885

“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.