SCHEMBL2232707

SCHEMBL2232707

O=C1OCC(c2ccccc2)O1.O=c1oc2ccccc2o1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
MAOB P27338 8/20 0.38
CYP19A1 P11511 4/20 0.38
AR P10275 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
MAOA P21397 2/20 0.33
PSMB5 P28074 1/20 0.33
LTA4H P09960 3/20 0.33
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
PGAM1 P18669 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL272449 0.88 TSHR (0.52) TSHRMAOBCYP19A1ARKDM4E
SCHEMBL15396044 0.88 TSHR (0.52) TSHRMAOBCYP19A1ARKDM4E
SCHEMBL17053670 0.78 LTA4H (0.38) TSHRLTA4H
SCHEMBL17053669 0.75 FFAR1 (0.40) TSHRCYP19A1KDM4EMAPT
SCHEMBL1239871 0.70 CYP2C9 (0.40) TSHRMAOBALDH1A1CYP3A4MAPT
SCHEMBL17022710 0.70 TSHR (0.43) TSHRMAOBCYP19A1ARKDM4E
SCHEMBL16463269 0.70 MAOB (0.45) MAOBCYP19A1LTA4H
SCHEMBL10354445 0.70 TAAR1 (0.40) MAOBKDM4EHSD17B10LTA4HALDH1A1
SCHEMBL6048428 0.70 TSHR (0.48) TSHRMAOBCYP19A1ARKDM4E
SCHEMBL17085395 0.70 MAOB (0.45) MAOBCYP19A1LTA4HALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2365957-A2 METHOD FOR MAKING CARBONATES AND ESTERS SABIC Innovative Plastics IP B.V. (NL) 2011-09-21 EP disclosed
US-7977447-B2 Method for making carbonates and esters SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2011-07-12 US disclosed
WO-2010059318-A2 METHOD FOR MAKING CARBONATES AND ESTERS SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2010-05-27 WO disclosed
US-20100123097-A1 Method for Making Carbonates and Esters SABIC INNOVATIVE PLASTICS IP BV (NL) 2010-05-20 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-20100123097-A1 Method for Making Carbonates and Esters ADH1C, ADH1A, ADH5 TSHR 4410/4885MAOB 1352/4885CYP19A1 217/4885

“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.