SCHEMBL7938412

SCHEMBL7938412

O=C(c1cccc(F)c1)C(Cl)(Cl)Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.61
CES1 P23141 2/20 0.61
PARP1 P09874 1/20 0.57
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
PLA2G7 Q13093 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KCNK3 O14649 1/20 0.45
ACHE P22303 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
KCNQ3 O43525 1/20 0.44
KCNQ2 O43526 1/20 0.44
KCNQ5 Q9NR82 1/20 0.44

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
SCHEMBL9516563 0.86 CES1 (0.59) CES2CES1PARP1HDAC1HDAC6
SCHEMBL1273634 0.83 CES1 (0.65) CES2CES1PARP1HDAC1HDAC6
SCHEMBL30166168 0.83 CES1 (0.65) CES2CES1PARP1HDAC1HDAC6
SCHEMBL11848528 0.82 CES2 (0.53) CES2CES1PARP1HDAC1HDAC6
SCHEMBL4661246 0.80 CES2 (0.61) CES2CES1PARP1HDAC1HDAC6
SCHEMBL28513115 0.78 CES1 (0.59) CES2CES1PARP1HDAC1HDAC6
SCHEMBL7940799 0.78 CA12 (0.57) PARP1MEN1KMT2AHTTESR1
SCHEMBL3819330 0.77 CES2 (0.57) CES2CES1PARP1HDAC1HDAC6
SCHEMBL103051 0.77 CES2 (0.68) CES2CES1PARP1HDAC1HDAC6
SCHEMBL29604318 0.77 CES2 (0.68) CES2CES1PARP1HDAC1HDAC6

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-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
US-6242654-B1 REACTING A PHENOLATE COMPOUND WITH AN ORGANIC FLUORINATING AGENT TO PREPARE A FLUORINE SUBSTITUTED AROMATIC COMPOUND MITSUI CHEMICALS, INC. (JP) 2001-06-05 US disclosed
EP-1013629-A1 Preparation process of fluorine subsituted aromatic compound Mitsui Chemicals, Inc. (JP) 2000-06-28 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 CES2 373/4885CES1 680/4885PARP1 1679/4885

“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.