SCHEMBL1728835

SCHEMBL1728835

COC(CNc1ccc(Oc2ccccc2)cc1)OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LTA4H P09960 2/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 4/20 0.47
ALOX12 P18054 2/20 0.47
LMNA P02545 1/20 0.47
GFER P55789 1/20 0.45
HTT P42858 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PGR P06401 1/20 0.45
NPC1 O15118 1/20 0.43
CRHBP P24387 1/20 0.43
RAB9A P51151 1/20 0.43
CRHR2 Q13324 1/20 0.43
CACNA1B Q00975 1/20 0.43
MAPK1 P28482 1/20 0.42
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 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
SCHEMBL931749 0.85 MAPT (0.56) HPGDSMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL1728640 0.81 NPC1 (0.55) HPGDSMN1; SMN2LTA4HALDH1A1MAPT
SCHEMBL5241441 0.76 LTA4H (0.55) HPGDSMN1; SMN2LTA4HALDH1A1MAPT
SCHEMBL1259735 0.75 POLB (0.49) HPGDSMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL241292 0.74 MAPT (0.41) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL1728733 0.74 CA1 (0.47) HPGDSMN1; SMN2ALDH1A1MAPTALOX12
SCHEMBL7982907 0.73 FNTA (0.69) LTA4H
SCHEMBL8496599 0.73 MAPT (0.59) HPGDSMN1; SMN2LTA4HALDH1A1MAPT
SCHEMBL7816346 0.73 LTA4H (0.57) SMN1; SMN2LTA4HLMNA
Hydrochloric Acid SCHEMBL7996767 0.72 FNTA (0.67) LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551810-B1 DIARYL-SUBSTITUTED CYCLIC UREA DERIVATIVES HAVING AN MCH-MODULATORY EFFECT SANOFI AVENTIS DEUTSCHLAND (DE) 2011-11-30 EP disclosed
US-7141561-B2 Substituted diaryl heterocycles, process for their preparation and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-11-28 US disclosed
EP-1551810-A1 DIARYL-SUBSTITUTED CYCLIC UREA DERIVATIVES HAVING AN MCH-MODULATORY EFFECT Aventis Pharma Deutschland GmbH (DE) 2005-07-13 EP disclosed
US-20040132752-A1 Substituted diaryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-08 US disclosed
WO-2004012648-A2 SUBSTITUTED DIARYL HETEROCYCLES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-12 WO disclosed
WO-2004011438-A1 DIARYL-SUBSTITUTED CYCLIC UREA DERIVATIVES HAVING AN MCH-MODULATORY EFFECT AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-05 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-20040132752-A1 Substituted diaryl heterocycles, process for their preparation and their use as medicaments GPR119, GLP1R, SLC5A2 HPGD 788/4885SMN1; SMN2 3972/4885LTA4H 4506/4885

“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.