SCHEMBL15908149

SCHEMBL15908149

N#COc1ccc(OCC(=O)OCCOCCOC(=O)COc2ccc(N=C=O)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
TBXAS1 P24557 1/20 0.33

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
SCHEMBL9964592 0.96 CYP3A4 (0.39) CYP1A2CYP3A4CYP2C19SMN1; SMN2BLM
SCHEMBL15910098 0.91 CYP3A4 (0.43) CYP1A2CYP3A4CYP2C19SMN1; SMN2BLM
SCHEMBL16270246 0.87 HDAC1 (0.38) GAA
SCHEMBL14802570 0.87 POLB (0.33) SMN1; SMN2L3MBTL1POLBPPARDPPARA
SCHEMBL832556 0.87 CYP3A4 (0.46) CYP1A2CYP3A4CYP2C19SMN1; SMN2BLM
SCHEMBL9964595 0.87 L3MBTL1 (0.37) CYP1A2CYP3A4CYP2C19SMN1; SMN2BLM
SCHEMBL16573656 0.86 SERPINE1 (0.35) CYP1A2CYP3A4CYP2C19SMN1; SMN2TSHR
SCHEMBL11956787 0.85 PRSS1 (0.34) CYP1A2CYP3A4CYP2C19SMN1; SMN2TSHR
SCHEMBL863376 0.85 L3MBTL1 (0.47) L3MBTL1GAAPPARDPPARA
SCHEMBL16270523 0.84 MEN1 (0.38) CYP1A2CYP3A4CYP2C19SMN1; SMN2BLM

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
US-20160250374-A1 Absorbable Multi-Putty Bone Cements and Hemostatic Compositions and Methods of Use ORTHOCON, INC. 2016-09-01 US disclosed
US-9314547-B2 Absorbable multi-putty bone cements and hemostatic compositions and methods of use ABYRX INC. (US) 2016-04-19 US disclosed
US-20160023997-A1 ABSORBABLE POLYURETHANES AND METHODS OF USE THEREOF BEZWADA BIOMEDICAL LLC (US) 2016-01-28 US disclosed
US-20150080301-A1 ABSORBABLE POLYURETHANES AND METHODS OF USE THEREOF BEZWADA BIOMEDICAL LLC (US) 2015-03-19 US disclosed
US-8901347-B1 Absorbable polyurethanes and methods of use thereof BEZWADA BIOMEDICAL, LLC (US) 2014-12-02 US disclosed
US-20140213688-A1 Absorbable Multi-Putty Bone Cements and Hemostatic Compositions and Methods of Use ABYRX, INC. (US) 2014-07-31 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 (2 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-20150080301-A1 ABSORBABLE POLYURETHANES AND METHODS OF USE THEREOF HPGDS, ITGAM, P4HTM CYP1A2 830/4885CYP3A4 1429/4885CYP2C19 331/4885
US-20160023997-A1 ABSORBABLE POLYURETHANES AND METHODS OF USE THEREOF HPGDS, ITGAM, P4HTM CYP1A2 830/4885CYP3A4 1429/4885CYP2C19 331/4885

“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.