SCHEMBL13611326

SCHEMBL13611326

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.45
PRSS2 P07478 2/20 0.45
PRSS3 P35030 2/20 0.45
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 3/20 0.39
LMNA P02545 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
ESR1 P03372 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
NR1H2 P55055 1/20 0.39
RNASEL Q05823 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 2/20 0.39
SERPINE1 P05121 1/20 0.38
CYP2C9 P11712 1/20 0.38
PDE4D Q08499 1/20 0.38
KMT2A Q03164 2/20 0.37
NPC1 O15118 2/20 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
SCHEMBL13611329 0.99 PRSS1 (0.44) PRSS1PRSS2PRSS3TDP1TSHR
SCHEMBL13611354 0.97 PRSS1 (0.47) PRSS1PRSS2PRSS3TDP1TSHR
SCHEMBL13611320 0.94 TSHR (0.41) PRSS1PRSS2PRSS3TDP1TSHR
SCHEMBL13624646 0.91 TDP1 (0.44) PRSS1PRSS2PRSS3TDP1TSHR
SCHEMBL13611328 0.90 SERPINE1 (0.40) PRSS1PRSS2PRSS3TDP1TSHR
SCHEMBL14802444 0.89 MEN1 (0.38) PRSS1PRSS2PRSS3TDP1TSHR
SCHEMBL14802509 0.88 MEN1 (0.38) PRSS1PRSS2PRSS3TDP1TSHR
SCHEMBL14802630 0.86 PRSS1 (0.39) PRSS1PRSS2PRSS3TDP1TSHR
SCHEMBL9751347 0.86 TDP1 (0.55) PRSS1PRSS2PRSS3TDP1TSHR
SCHEMBL13624643 0.85 TDP1 (0.46) TDP1TSHRCYP1A2CYP2D6SMN1; SMN2

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 PRSS1 75/4885PRSS2 163/4885PRSS3 54/4885

“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.