SCHEMBL16614402

SCHEMBL16614402

COc1ccc(COCCCCC#CCO)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.54
TDP1 Q9NUW8 1/20 0.54
GBA1 P04062 1/20 0.44
UGCG Q16739 1/20 0.44
GBA2 Q9HCG7 1/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CALM1 P0DP23 1/20 0.41
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
APP P05067 4/20 0.39
CHRM3 P20309 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL16727733 0.99 L3MBTL1 (0.56) L3MBTL1TDP1GBA1UGCGGBA2
SCHEMBL15861737 0.89 TDP1 (0.47) L3MBTL1TDP1CA1CA2CALM1
SCHEMBL16727736 0.85 L3MBTL1 (0.57) L3MBTL1TDP1GBA1UGCGGBA2
SCHEMBL16727731 0.84 L3MBTL1 (0.56) L3MBTL1TDP1GBA1UGCGGBA2
SCHEMBL16727730 0.82 L3MBTL1 (0.53) L3MBTL1TDP1GBA1UGCGGBA2
SCHEMBL17032624 0.82 L3MBTL1 (0.53) L3MBTL1TDP1GBA1UGCGGBA2
SCHEMBL9234752 0.81 L3MBTL1 (0.62) L3MBTL1TDP1GBA1UGCGGBA2
SCHEMBL10879554 0.81 NR5A1 (0.51) MEN1KMT2A
SCHEMBL16614394 0.80 L3MBTL1 (0.57) L3MBTL1TDP1GBA1UGCGGBA2
SCHEMBL27089910 0.80 L3MBTL1 (0.55) L3MBTL1TDP1GBA1UGCGGBA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160318862-A1 SYNTHESIS OF DELTA 12-PGJ3 AND RELATED COMPOUNDS WILLIAM MARSH RICE UNIVERSITY (US) 2016-11-03 US disclosed
WO-2015048268-A1 SYNTHESIS OF DELTA 12-PGJ3 AND RELATED COMPOUNDS WILLIAM MARSH RICE UNIVERSITY (US) 2015-04-02 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 (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-20160318862-A1 SYNTHESIS OF DELTA 12-PGJ3 AND RELATED COMPOUNDS DGKZ, DGKG, DNAJA3 L3MBTL1 4273/4885TDP1 3703/4885GBA1 3404/4885

“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.