SCHEMBL5839019

SCHEMBL5839019

O=C(O)c1cc(Br)cc(OCc2ccccc2Cl)c1OCc1ccccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.56
HTT P42858 1/20 0.56
FABP4 P15090 5/20 0.54
FABP5 Q01469 5/20 0.54
FABP3 P05413 2/20 0.54
MCL1 Q07820 1/20 0.53
MRGPRX4 Q96LA9 2/20 0.51
PTGER1 P34995 2/20 0.50
NR4A2 P43354 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LRRK2 Q5S007 1/20 0.48
SLC6A4 P31645 1/20 0.46
HTR6 P50406 1/20 0.46
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL1647440 0.85 LRRK2 (0.62) TP53HTTFABP4FABP5MCL1
SCHEMBL5839199 0.82 FOLH1 (0.56) MCL1PTGER1ALDH1A1LRRK2SMN1; SMN2
SCHEMBL5663261 0.81 FABP4 (0.74) TP53HTTFABP4FABP5FABP3
SCHEMBL3806442 0.79 MRGPRX4 (0.71) TP53HTTFABP4FABP5FABP3
SCHEMBL1388155 0.78 HTT (0.77) TP53HTTFABP4FABP5FABP3
SCHEMBL5662630 0.76 TP53 (0.74) TP53HTTFABP4FABP5FABP3
SCHEMBL2292252 0.76 TP53 (0.62) TP53HTTFABP4FABP5FABP3
SCHEMBL5838291 0.75 FABP4 (0.59) TP53HTTFABP4FABP5FABP3
SCHEMBL5840313 0.75 FABP4 (0.65) TP53HTTFABP4FABP5FABP3
SCHEMBL1648024 0.74 LRRK2 (0.59) TP53HTTFABP4FABP5MRGPRX4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6984645-B2 Dual inhibitors of adipocyte fatty acid binding protein and keratinocyte fatty acid binding protein BRISTOL-MYERS SQUIBB COMPANY (US) 2006-01-10 US disclosed
US-20030225091-A1 Dual inhibitors of adipocyte fatty acid binding protein and keratinocyte fatty acid binding protein BRISTOL-MYERS SQUIBB COMPANY 2003-12-04 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 (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-20030225091-A1 Dual inhibitors of adipocyte fatty acid binding protein and keratinocyte fatty acid binding protein FABP4, FABP2, FABP1 TP53 4348/4885HTT 4810/4885FABP4 1/4885

“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.