SCHEMBL3098768

SCHEMBL3098768

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
CYP1A2 P05177 2/20 0.54
GAA P10253 3/20 0.53
SLC6A9 P48067 2/20 0.50
SLC6A5 Q9Y345 2/20 0.50
LMNA P02545 4/20 0.48
HPGD P15428 1/20 0.48
MC4R P32245 1/20 0.46
FFAR1 O14842 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CRHBP P24387 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45

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 0.92 ALDH1A1 (0.62) ALDH1A1CYP1A2LMNACES2CES1
SCHEMBL2534850 0.87 CES2 (0.48) ALDH1A1LMNAHPGDCES2CES1
SCHEMBL2150940 0.86 ALDH1A1 (0.55) ALDH1A1CYP1A2GAALMNACES2
SCHEMBL3105019 0.86 ALDH1A1 (0.55) ALDH1A1CYP1A2GAALMNACES2
SCHEMBL3092509 0.84 HPGD (0.60) ALDH1A1CYP1A2LMNAHPGDCES2
SCHEMBL3092612 0.84 HPGD (0.60) ALDH1A1CYP1A2LMNAHPGDCES2
SCHEMBL7017619 0.84 ALDH1A1 (0.57) ALDH1A1CYP1A2LMNACES2CES1
SCHEMBL6201289 0.84 ALDH1A1 (0.61) ALDH1A1CYP1A2GAALMNACES2
SCHEMBL3105358 0.84 GSK3B (0.55) ALDH1A1CYP1A2SLC6A9LMNACES2
SCHEMBL3102478 0.83 ALDH1A1 (0.53) ALDH1A1CYP1A2GAALMNACES2

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 ALDH1A1 1908/4885CYP1A2 3328/4885GAA 1855/4885

“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.