SCHEMBL79584

SCHEMBL79584

OCC#Cc1ccc(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 8/20 0.46
ECE1 P42892 8/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.41
TRPV3 Q8NET8 1/20 0.39
CYP3A4 P08684 3/20 0.37
CYP2D6 P10635 3/20 0.37
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 3/20 0.37
TSHR P16473 2/20 0.37
ALOX15 P16050 1/20 0.37
MAPK14 Q16539 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
CYP1A2 P05177 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CA3 P07451 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 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
SCHEMBL3245685 0.80 ALDH1A1 (0.46) MMEECE1PTGDR2TRPV3CES2
SCHEMBL9839291 0.79 PGK1 (0.33) MAPK14ALDH1A1
SCHEMBL18464860 0.77 ERN1 (0.37) MMEECE1PTGDR2MAPK14CES2
SCHEMBL16098978 0.76 CES2 (0.36) MMEECE1MAPK14CES2CES1
SCHEMBL2163949 0.75 MME (0.43) MMEECE1PTGDR2TRPV3CYP3A4
SCHEMBL29633563 0.75 MME (0.43) MMEECE1PTGDR2TRPV3CYP3A4
SCHEMBL4746682 0.74 ALDH1A1 (0.41) MMEECE1PTGDR2TRPV3CES2
SCHEMBL80847 0.73 CES2 (0.34) MAPK14CES2CES1
SCHEMBL6141336 0.72 ALDH1A1 (0.39) MMEECE1PTGDR2TRPV3CES2
SCHEMBL4231062 0.72 NR3C2 (0.40) MMEECE1PTGDR2TRPV3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP disclosed
US-6103743-A Unsaturated amino acid derivatives ALLELIX NEUROSCIENCE, INC. (US) 2000-08-15 US 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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C MME 431/4885ECE1 757/4885PTGDR2 2516/4885

“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.