SCHEMBL13611320

SCHEMBL13611320

O=C=Nc1ccc(C(=O)OCC(=O)OCCOC(=O)COC(=O)c2ccc(N=C=O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
PRSS1 P07477 2/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 1/20 0.36
ESR1 P03372 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CHRM1 P11229 1/20 0.36
SLC6A2 P23975 1/20 0.36
KDR P35968 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL13611328 0.96 SERPINE1 (0.40) TSHRCYP3A4PRSS1PRSS2PRSS3
SCHEMBL13611354 0.94 PRSS1 (0.47) TSHRCYP3A4PRSS1PRSS2PRSS3
SCHEMBL13611326 0.94 PRSS1 (0.45) TSHRCYP3A4PRSS1PRSS2PRSS3
SCHEMBL13611329 0.93 PRSS1 (0.44) TSHRCYP3A4PRSS1PRSS2PRSS3
SCHEMBL13624643 0.91 TDP1 (0.46) TSHRMAPTALDH1A1L3MBTL1TDP1
SCHEMBL12152614 0.90 PRSS1 (0.41) TSHRCYP3A4PRSS1PRSS2PRSS3
SCHEMBL813539 0.89 TSHR (0.47) TSHRCYP3A4PRSS1PRSS2PRSS3
SCHEMBL16574509 0.88 SERPINE1 (0.42) TSHRCYP3A4PRSS1PRSS2PRSS3
SCHEMBL14802473 0.88 POLB (0.34) TSHRCYP3A4PRSS1PRSS2PRSS3
SCHEMBL13611334 0.87 MAPK1 (0.45) TSHRCYP3A4PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11116866-B2 Multi-putty adhesive and cement compositions for tissue hemostasis, repair and reconstruction ABYRX, INC. (US) 2021-09-14 US disclosed
US-20200061236-A1 MULTI-PUTTY ADHESIVE AND CEMENT COMPOSITIONS FOR TISSUE HEMOSTASIS, REPAIR AND RECONSTRUCTION ORTHOCON, INC. 2020-02-27 US disclosed
US-20190099514-A1 MULTI-PUTTY ADHESIVE AND CEMENT COMPOSITIONS FOR TISSUE HEMOSTASIS, REPAIR AND RECONSTRUCTION ORTHOCON, INC. 2019-04-04 US disclosed
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-20130078300-A1 BIOABSORBABLE POLYMERS FROM BIOABSORBABLE POLYISOCYANATES AND USES THEREOF BEZWADA BIOMEDICAL, LLC (US) 2013-03-28 US disclosed
US-8367747-B2 Bioabsorbable polymers from bioabsorbable polyisocyanates and uses thereof BEZWADA BIOMEDICAL, LLC (US) 2013-02-05 US disclosed
US-8367747-B2 Bioabsorbable polymers from bioabsorbable polyisocyanates and uses thereof BEZWADA BIOMEDICAL, LLC (US) 2013-02-05 US disclosed
US-20090292029-A1 BIOABSORBABLE POLYMERS FROM BIOABSORBABLE POLYISOCYANATES AND USES THEREOF BEZWADA BIOMEDICAL, L.L.C (US) 2009-11-26 US disclosed
US-20090292029-A1 BIOABSORBABLE POLYMERS FROM BIOABSORBABLE POLYISOCYANATES AND USES THEREOF BEZWADA BIOMEDICAL, L.L.C (US) 2009-11-26 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-20090292029-A1 BIOABSORBABLE POLYMERS FROM BIOABSORBABLE POLYISOCYANATES AND USES THEREOF PUF60, PFAS, UROD TSHR 4667/4885CYP3A4 1295/4885PRSS1 75/4885

“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.