SCHEMBL4576519

SCHEMBL4576519

O=C(O)COc1ccccc1Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.63
PTGDR2 Q9Y5Y4 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
POLB P06746 1/20 0.56
GLA P06280 1/20 0.56
HPGD P15428 2/20 0.56
HRH1 P35367 5/20 0.54
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
DRD2 P14416 1/20 0.53
DRD1 P21728 1/20 0.53
DRD4 P21917 1/20 0.53
DRD5 P21918 1/20 0.53
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
TBXAS1 P24557 1/20 0.51

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
SCHEMBL22209067 0.88 HTT (0.60) L3MBTL1SMN1; SMN2HPGDHRH1KDM4E
SCHEMBL8714203 0.86 SMN1; SMN2 (0.53) L3MBTL1SMN1; SMN2HPGDHRH1DRD2
SCHEMBL5007118 0.84 HTR1A (0.64) L3MBTL1PTGDR2SMN1; SMN2POLBGLA
SCHEMBL14193733 0.83 L3MBTL1 (0.59) L3MBTL1PTGDR2SMN1; SMN2POLBGLA
SCHEMBL266662 0.81 L3MBTL1 (0.72) L3MBTL1PTGDR2SMN1; SMN2POLBGLA
SCHEMBL3409855 0.81 L3MBTL1 (0.67) L3MBTL1PTGDR2SMN1; SMN2POLBGLA
SCHEMBL503961 0.81 L3MBTL1 (0.77) L3MBTL1PTGDR2SMN1; SMN2POLBGLA
SCHEMBL9774142 0.81 HRH1 (0.60) L3MBTL1SMN1; SMN2HPGDHRH1KDM4E
SCHEMBL1332146 0.81 PTGDR2 (0.61) L3MBTL1PTGDR2SMN1; SMN2POLBGLA
SCHEMBL9275347 0.81 SMN1; SMN2 (0.72) SMN1; SMN2HPGDALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021021927-A1 COMPOSITIONS AND METHODS FOR TREATING PULMONARY EDEMA OR LUNG INFLAMMATION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2021-02-04 WO claimed
US-20220304957-A1 ANTI-CANCER COMPOSITIONS AND METHODS OF USE UNIV LOUISIANA STATE (US) 2022-09-29 US disclosed
WO-2021021927-A1 COMPOSITIONS AND METHODS FOR TREATING PULMONARY EDEMA OR LUNG INFLAMMATION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2021-02-04 WO disclosed
WO-2020146876-A2 ANTI-CANCER COMPOSITIONS AND METHODS OF USE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2020-07-16 WO disclosed
US-7414063-B2 Inhibitors of Akt (protein kinase B) ELI LILLY AND COMPANY (US) 2008-08-19 US disclosed
US-7317125-B2 Diacylglycerol acyltransferase inhibitors HOFFMAN-LA ROCHE INC. (US) 2008-01-08 US disclosed
US-7317125-B2 Diacylglycerol acyltransferase inhibitors HOFFMAN-LA ROCHE INC. (US) 2008-01-08 US disclosed
US-7317125-B2 Diacylglycerol acyltransferase inhibitors HOFFMAN-LA ROCHE INC. (US) 2008-01-08 US disclosed
EP-1848687-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) F. Hoffmann-Roche AG (CH) 2007-10-31 EP disclosed
US-20070043040-A1 Inhibitors of akt (protein kinase b) ELI LILLY AND COMPANY 2007-02-22 US disclosed
US-20060178532-A1 Diacylglycerol acyltransferase inhibitors VIA PHARMACEUTICALS, INC. 2006-08-10 US disclosed
WO-2006082010-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) F.HOFFMANN-LA ROCHE AG (CH) 2006-08-10 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 (3 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-20070043040-A1 Inhibitors of akt (protein kinase b) AKT1, AKT2, BRAF L3MBTL1 1339/4885PTGDR2 4128/4885SMN1; SMN2 2866/4885
US-20060178532-A1 Diacylglycerol acyltransferase inhibitors DGAT2, DGAT1, LCAT L3MBTL1 2543/4885PTGDR2 545/4885SMN1; SMN2 3976/4885
US-20220304957-A1 ANTI-CANCER COMPOSITIONS AND METHODS OF USE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53, MCL1 L3MBTL1 3945/4885PTGDR2 3584/4885SMN1; SMN2 3030/4885

“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.