SCHEMBL3105358

SCHEMBL3105358

COc1ccc(C(Br)C(=O)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.55
CES2 O00748 2/20 0.53
CES1 P23141 2/20 0.53
CYP1A1 P04798 2/20 0.52
CYP1B1 Q16678 2/20 0.52
MAOB P27338 2/20 0.52
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 1/20 0.50
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GABBR2 O75899 1/20 0.45
GABBR1 Q9UBS5 1/20 0.45
SLC6A9 P48067 1/20 0.44
GPR183 P32249 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CACNA1A O00555 1/20 0.43
CACNA2D1 P54289 1/20 0.43
CACNB1 Q02641 1/20 0.43
LMNA P02545 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
SCHEMBL3089210 0.88 ALDH1A1 (0.62) GSK3BCES2CES1ALDH1A1CYP1A2
SCHEMBL3098687 0.87 MAPT (0.59) CES2CES1ALDH1A1CYP1A2MAPT
SCHEMBL3098768 0.84 ALDH1A1 (0.54) GSK3BCES2CES1ALDH1A1CYP1A2
SCHEMBL3105019 0.82 ALDH1A1 (0.55) GSK3BCES2CES1MAOBALDH1A1
SCHEMBL2150940 0.82 ALDH1A1 (0.55) GSK3BCES2CES1MAOBALDH1A1
SCHEMBL7140563 0.81 CYP1A2 (0.54) GSK3BCES2CES1CYP1A1CYP1B1
SCHEMBL3092509 0.81 HPGD (0.60) CES2CES1MAOBALDH1A1CYP1A2
SCHEMBL3092612 0.81 HPGD (0.60) CES2CES1MAOBALDH1A1CYP1A2
SCHEMBL3100510 0.81 CYP1A1 (0.50) GSK3BCES2CES1CYP1A1CYP1B1
SCHEMBL10465540 0.80 GSK3B (0.59) GSK3BCES2CES1CYP1A1CYP1B1

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
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
EP-2009006-A1 UREIDE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES TORAY INDUSTRIES, INC. (JP) 2008-12-31 EP disclosed
EP-2009006-A1 UREIDE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES TORAY INDUSTRIES, INC. (JP) 2008-12-31 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-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF UROD, UTS2R, SLC14A1 GSK3B 3661/4885CES2 1815/4885CES1 4525/4885

“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.