SCHEMBL12603801

SCHEMBL12603801

CCc1ccc(Oc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.48
MAPK14 Q16539 1/20 0.47
FAAH O00519 1/20 0.46
MAPT P10636 1/20 0.46
KIF11 P52732 1/20 0.46
MAOB P27338 4/20 0.46
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
AR P10275 1/20 0.44
ESR2 Q92731 1/20 0.44
TLR8 Q9NR97 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
TTBK1 Q5TCY1 1/20 0.43
MAPK1 P28482 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
IDO1 P14902 1/20 0.42

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
SCHEMBL13237463 0.89 IDO1 (0.51) LTA4HL3MBTL1MAPK14MAPTMAOB
SCHEMBL27579381 0.86 LTA4H (0.59) LTA4HL3MBTL1MAPK14MAPTKIF11
SCHEMBL921317 0.85 MAOB (0.61) LTA4HL3MBTL1MAPK14KIF11MAOB
SCHEMBL13197414 0.84 MAPK14 (0.50) LTA4HMAPK14MAOBPOLBMAPK1
Hydrochloric Acid SCHEMBL17136566 0.84 MAOB (0.64) LTA4HMAPK14KIF11MAOBTTBK1
SCHEMBL9900818 0.84 LTA4H (0.52) LTA4HL3MBTL1MAPK14KIF11MAOB
SCHEMBL32402331 0.84 LTA4H (0.52) LTA4HL3MBTL1MAPK14KIF11MAOB
SCHEMBL10737764 0.84 LTA4H (0.52) LTA4HL3MBTL1MAPK14KIF11MAOB
SCHEMBL875576 0.84 LTA4H (0.58) LTA4HL3MBTL1MAPK14KIF11MAOB
SCHEMBL13719376 0.83 LTA4H (0.49) LTA4HL3MBTL1MAPK14FAAHMAPT

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
US-8455638-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-8455638-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-20110118282-A1 Soluble Guanylate Cyclase Activators MERCK SHARP & DOHME LLC 2011-05-19 US disclosed
US-7932283-B2 Fungicide N-cyclopropyl-sulfonylamide derivatives BAYER CROPSCIENCE AG (DE) 2011-04-26 US disclosed
US-7579479-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-25 US disclosed
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. 2009-08-20 US disclosed
US-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives BAYER CROPSCIENCE AG (DE) 2009-05-28 US disclosed
US-7241780-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOLS-MYERS SQUIBB COMPANY (US) 2007-07-10 US disclosed
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T 2007-01-18 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 (4 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-20110118282-A1 Soluble Guanylate Cyclase Activators GUCY1B1, GUCY1A2, GUCY1A1 LTA4H 1075/4885L3MBTL1 1253/4885MAPK14 914/4885
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1B1, GUCY1A2, GUCY1A1 LTA4H 1075/4885L3MBTL1 1253/4885MAPK14 914/4885
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, LIPC, ACACA LTA4H 3219/4885L3MBTL1 1217/4885MAPK14 3416/4885
US-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives CYP51A1, ERG28, CBR3 LTA4H 3566/4885L3MBTL1 4555/4885MAPK14 1990/4885

“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.