SCHEMBL3721034

SCHEMBL3721034

COCOc1ccc(O)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
BACE1 P56817 1/20 0.43
CLCN2 P51788 1/20 0.42
S1PR4 O95977 1/20 0.41
ENPP2 Q13822 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
MRGPRX4 Q96LA9 2/20 0.38
ADRB2 P07550 1/20 0.38
TTR P02766 1/20 0.38
MAOB P27338 1/20 0.38
TSHR P16473 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL16096116 0.85 BACE1 (0.46) HSD17B10BACE1CLCN2MAPTMAOB
SCHEMBL2220583 0.81 RORC (0.54) HSD17B10MAPTTDP1TSHRCYP1A2
SCHEMBL10709145 0.80 HSD17B10 (0.50) HSD17B10S1PR4MAPTTDP1TTR
SCHEMBL6099115 0.79 MAOB (0.53) BACE1MAPTMAOBTSHRCYP3A4
SCHEMBL12587297 0.79 BACE1 (0.43) BACE1MAPTMAOB
SCHEMBL12800776 0.79 MAPT (0.53) S1PR4MAPTTDP1MRGPRX4CYP1A2
SCHEMBL17658992 0.79 MRGPRX4 (0.40) BACE1CLCN2S1PR4ENPP2MAPT
SCHEMBL2096187 0.78 MAOB (0.56) HSD17B10BACE1MAPTTTRMAOB
SCHEMBL2768003 0.78 CYP3A4 (0.44) S1PR4MAPTMRGPRX4TSHRCYP3A4
SCHEMBL15969116 0.78 HPGD (0.54) S1PR4TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed
US-7022732-B2 6-substituted 2,3-dihydro-1,4-benzodioxine, 2-position substituted with carboxy, or (C1 C6)alkoxycarbonyl; diabetes, obesity; 6-[2-(R)-[2-(S)-hydroxy-3-(4-hydroxy-3-methanesulfonamido-phenoxy)propylamino]propyl]-2,3-dihydro-1,4-benzodioxine-2-(R)-carboxylic acid; B3 andrenergic receptor agonist NISSHIN PHARMA INC. (JP) 2006-04-04 US disclosed
US-20040235921-A1 Propanolamine derivative having 1, 4-Benzodioxane ring KYORIN PHARMACEUTICAL CO., LTD. (JP) 2004-11-25 US disclosed
EP-1426370-A1 PROPANOLAMINE DERIVATIVE HAVING 1,4 BENZODIOXANE RING Nisshin Pharma Inc. (JP) 2004-06-09 EP disclosed
EP-0321984-B1 MESOMORPHIC COMPOUND HAVING BETA-HYDROXYCARBOXYL GROUP AS CHIRAL SOURCE AND LIQUID CRYSTAL COMPOSITION MITSUBISHI RAYON CO., LTD. (JP) 1992-10-21 EP disclosed
US-4925591-A FERROELECTRIC MITSUBISHI RAYON CO., LTD. (JP) 1990-05-15 US disclosed
EP-0321984-A1 Mesomorphic compound having beta-hydroxycarboxyl group as chiral source and liquid crystal composition MITSUBISHI RAYON CO., LTD. (JP) 1989-06-28 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-20040235921-A1 Propanolamine derivative having 1, 4-Benzodioxane ring ADRA1D, ADRA1A, ADRB1 HSD17B10 201/4885BACE1 2566/4885CLCN2 1179/4885

“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.