SCHEMBL809887

SCHEMBL809887

NCc1ccccc1-c1ccc(CBr)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.64
TRPA1 O75762 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
CSNK2A1 P68400 3/20 0.41
MAOB P27338 2/20 0.41
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
PNMT P11086 2/20 0.38
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
CYP2C19 P33261 1/20 0.36
AKT2 P31751 1/20 0.35
PTGER1 P34995 1/20 0.35

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
SCHEMBL3789431 0.86 DPP4 (0.72) DPP4TAAR1CSNK2A1MAOBNOS3
SCHEMBL1309773 0.86 ALDH1A1 (0.48) DPP4TRPA1ALDH1A1TSHRMAOB
SCHEMBL7791854 0.82 DPP4 (0.67) DPP4TSHRTAAR1CSNK2A1MAOB
SCHEMBL809767 0.82 TRPA1 (0.44) DPP4TRPA1ALDH1A1TSHRCES2
SCHEMBL10892045 0.81 ALDH1A1 (0.57) DPP4TRPA1ALDH1A1TSHRTAAR1
SCHEMBL14034606 0.81 DPP4 (0.64) DPP4TAAR1CSNK2A1MAOBNOS3
SCHEMBL27689661 0.81 DPP4 (0.64) DPP4TAAR1CSNK2A1MAOBNOS3
SCHEMBL7142529 0.80 DPP4 (0.69) DPP4ALDH1A1TSHRTAAR1CSNK2A1
SCHEMBL2981250 0.79 DPP4 (0.91) DPP4ALDH1A1TAAR1CSNK2A1NOS3
SCHEMBL29872374 0.79 DPP4 (1.00) DPP4ALDH1A1TAAR1CSNK2A1PNMT

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-7968727-B2 Synthesis of 4-bromomethyl-2′-formylbiphenyl and 4-bromomethyl-2′-hydroxymethylbiphenyl and its use in preparation of angiotensin II antagonists LEK PHARMACEUTICALS, D.D. (SI) 2011-06-28 US disclosed
US-7968727-B2 Synthesis of 4-bromomethyl-2′-formylbiphenyl and 4-bromomethyl-2′-hydroxymethylbiphenyl and its use in preparation of angiotensin II antagonists LEK PHARMACEUTICALS, D.D. (SI) 2011-06-28 US disclosed
US-20090318521-A1 Synthesis of 4-Bromomethyl-2'-Formylbiphenyl and 4-Bromomethyl-2'-Hydroxymethylbiphenyl and Its Use in Preparation of Giotensin II Antagonists LEK PHARMACEUTICALS D.D. (SI) 2009-12-24 US disclosed
US-20090318521-A1 Synthesis of 4-Bromomethyl-2'-Formylbiphenyl and 4-Bromomethyl-2'-Hydroxymethylbiphenyl and Its Use in Preparation of Giotensin II Antagonists LEK PHARMACEUTICALS D.D. (SI) 2009-12-24 US disclosed
WO-2006103068-A1 A SYNTHESIS OF 4-BROMOMETHYL-2'-FORMYLBIPHENYL AND 4-BROMOMETHYL-2'- HYDROXYMETHYLBIPHENYL AND ITS USE IN PREPARATION OF ANGIOTENSIN II ANTAGONISTS LEK PHARMACEUTICALS D.D. (SI) 2006-10-05 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 (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-20090318521-A1 Synthesis of 4-Bromomethyl-2'-Formylbiphenyl and 4-Bromomethyl-2'-Hydroxymethylbiphenyl and Its Use in Preparation of Giotensin II Antagonists GRK4, GRK2, GRK5 DPP4 838/4885TRPA1 1634/4885ALDH1A1 3706/4885

“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.