SCHEMBL9964595

SCHEMBL9964595

CC(Oc1ccc(N=C=O)cc1)C(=O)OCCOC(=O)COc1ccc(OC#N)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
TSHR P16473 1/20 0.34
GAA P10253 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 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
SCHEMBL830138 0.92 L3MBTL1 (0.41) L3MBTL1LMNACYP1A2CYP3A4CYP2C19
SCHEMBL9964594 0.91 GAA (0.38) L3MBTL1LMNACYP1A2CYP3A4CYP2C19
SCHEMBL9964592 0.90 CYP3A4 (0.39) L3MBTL1CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL16573653 0.88 GAA (0.40) L3MBTL1LMNACYP1A2CYP3A4CYP2C19
SCHEMBL15908149 0.87 CYP1A2 (0.37) L3MBTL1CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL831494 0.82 L3MBTL1 (0.43) L3MBTL1LMNACYP1A2CYP3A4CYP2C19
SCHEMBL863151 0.82 GAA (0.45) L3MBTL1LMNASMN1; SMN2GAATDP1
SCHEMBL832556 0.81 CYP3A4 (0.46) CYP1A2CYP3A4CYP2C19SMN1; SMN2BLM
SCHEMBL16270231 0.81 TDP1 (0.37) L3MBTL1LMNACYP1A2CYP3A4CYP2C19
SCHEMBL9967374 0.81 L3MBTL1 (0.49) L3MBTL1LMNACYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE45548-E1 Functionalized drugs and polymers derived therefrom BEZWADA BIOMEDICAL, LLC (US) 2015-06-09 US disclosed
US-8846845-B2 Bioabsorbable and biocompatible polyurethanes and polyamides for medical devices BEZWADA BIOMEDICAL, LLC (US) 2014-09-30 US disclosed
US-20120158127-A1 BIOABSORBABLE AND BIOCOMPATIBLE POLYURETHANES AND POLYAMIDES FOR MEDICAL DEVICES BEZWADA BIOMEDICAL, LLC (US) 2012-06-21 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-20120158127-A1 BIOABSORBABLE AND BIOCOMPATIBLE POLYURETHANES AND POLYAMIDES FOR MEDICAL DEVICES HAO2, AOC2, AOC1 L3MBTL1 540/4885LMNA 3327/4885CYP1A2 524/4885

“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.