SCHEMBL810765

SCHEMBL810765

CC(C)c1cc(C(C)C)c(S(=O)(=O)NC2CCCCC2N)c(C(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 3/20 0.43
FABP3 P05413 2/20 0.43
FABP5 Q01469 1/20 0.43
EPHX2 P34913 1/20 0.41
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
HDAC1 Q13547 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PLG P00747 4/20 0.35
PLAU P00749 4/20 0.35
F10 P00742 2/20 0.35
NPY5R Q15761 1/20 0.35
NR3C1 P04150 1/20 0.34
ROCK2 O75116 1/20 0.34
PDE4B Q07343 1/20 0.34

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
SCHEMBL5179693 0.83 ALDH1A1 (0.39) ALDH1A1
SCHEMBL23052181 0.81 EPHX2 (0.51) FABP4FABP3FABP5EPHX2GAA
SCHEMBL6371598 0.76 EPHX2 (0.42) FABP4FABP3FABP5EPHX2GAA
SCHEMBL2670888 0.76 EPHX2 (0.42) FABP4FABP3FABP5EPHX2GAA
SCHEMBL810153 0.74 CA1 (0.45) EPHX2ALDH1A1NR3C1
SCHEMBL21924130 0.73 FABP4 (0.46) FABP4FABP3FABP5EPHX2GAA
SCHEMBL810645 0.73 ALDH1A1 (0.35) ALDH1A1
P-Cymene SCHEMBL5423465 0.73 ALDH1A1 (0.51) GAATDP1ALDH1A1
P-Cymene SCHEMBL5426999 0.73 ALDH1A1 (0.51) GAATDP1ALDH1A1
SCHEMBL21924129 0.72 EPHX2 (0.46) FABP4FABP3FABP5EPHX2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2399895-B1 Process for producing optically active aliphatic fluoroalcohol KANTO KAGAKU (JP) 2018-08-08 EP disclosed
US-9162934-B2 Process for producing optically active alcohol KANTO KAGAKU KABUSHIKI KAISHA (JP) 2015-10-20 US disclosed
EP-2394977-B1 Process for producing optically active alcohol KANTO KAGAKU (JP) 2014-01-08 EP disclosed
US-8558033-B2 Process for producing optically active aliphatic fluoroalcohol KANTO KAGAKU KABUSHIKI KAISHA (JP) 2013-10-15 US disclosed
US-20110319671-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALIPHATIC FLUOROALCOHOL KANTO KAGAKU KABUSHIKI KAISHA (JP) 2011-12-29 US disclosed
EP-2399895-A2 Process for producing optically active aliphatic fluoroalcohol Kanto Kagaku Kabushiki Kaisha (JP) 2011-12-28 EP disclosed
EP-2394977-A1 Process for producing optically active alcohol Kanto Kagaku Kabushiki Kaisha (JP) 2011-12-14 EP disclosed
US-20110282077-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL KANTO KAGAKU KABUSHIKI KAISHA (JP) 2011-11-17 US disclosed
US-7268250-B2 Process for producing optically active compound KANTO KAGAKU KABUSHIKI KAISHA (JP) 2007-09-11 US disclosed
EP-1439159-B1 Process for producing optically active compound KANTO KAGAKU (JP) 2007-06-20 EP disclosed
US-20040176616-A1 Process for producing optically active compound KANTO KAGAKU KABUSHIKI KAISHA 2004-09-09 US disclosed
EP-1439159-A1 Process for producing optically active compound Kanto Kagaku Kabushiki Kaisha (JP) 2004-07-21 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 (3 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-20040176616-A1 Process for producing optically active compound OSTC, NPEPPS, PPOX FABP4 4646/4885FABP3 4846/4885FABP5 4658/4885
US-20110282077-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1A, ADH1C, ADH5 FABP4 2907/4885FABP3 4379/4885FABP5 3575/4885
US-20110319671-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALIPHATIC FLUOROALCOHOL ADH1A, ADH1C, ADH5 FABP4 924/4885FABP3 2573/4885FABP5 896/4885

“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.