SCHEMBL3025985

SCHEMBL3025985

BrC(Br)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.50
SRR Q9GZT4 2/20 0.47
PSAT1 Q9Y617 2/20 0.47
ACP3 P15309 1/20 0.47
FFAR1 O14842 1/20 0.47
PPARG P37231 7/20 0.46
PPARA Q07869 6/20 0.46
IDO1 P14902 2/20 0.45
AGXT P21549 2/20 0.45
ABCC4 O15439 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
PTGS1 P23219 1/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
CYP19A1 P11511 1/20 0.43
MME P08473 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
SCHEMBL686329 0.85 EPHX1 (0.55) TAAR1TSHRPTGS1ALDH1A1
SCHEMBL10724758 0.82 SLC6A4 (0.38) TAAR1
SCHEMBL18482144 0.79 CYP2D6 (0.48) TAAR1SRRPSAT1ACP3ALDH1A1
SCHEMBL6382096 0.77 SRR (0.57) SRRPSAT1FFAR1PPARGPPARA
SCHEMBL6186168 0.77 PPARG (0.47) TAAR1SRRPSAT1ACP3FFAR1
SCHEMBL28718260 0.76 TAAR1 (0.50) TAAR1SRRPSAT1ACP3FFAR1
SCHEMBL1335887 0.76 TAAR1 (0.50) TAAR1SRRPSAT1ACP3FFAR1
SCHEMBL22861986 0.76 TAAR1 (0.56) TAAR1SRRPSAT1ACP3FFAR1
SCHEMBL29033883 0.74 SRR (0.50) TAAR1SRRPSAT1ACP3FFAR1
SCHEMBL29033881 0.74 SRR (0.50) TAAR1SRRPSAT1ACP3FFAR1

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
EP-1745002-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS LLC (US) 2010-11-03 EP disclosed
US-20100210653-A1 Novel Compounds, Their Preparations and Use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-08-19 US disclosed
US-20080114036-A1 Novel Compounds, Their Preparations And Use NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
EP-1745002-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2007-01-24 EP disclosed
WO-2005105725-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2005-11-10 WO 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 (2 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-20100210653-A1 Novel Compounds, Their Preparations and Use PPARG, PPARD, PPARA TAAR1 1977/4885SRR 1364/4885PSAT1 471/4885
US-20080114036-A1 Novel Compounds, Their Preparations And Use PPARG, PPARD, GPR119 TAAR1 1212/4885SRR 1303/4885PSAT1 458/4885

“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.