SCHEMBL16614394

SCHEMBL16614394

C#CCCCCOCc1ccc(OC)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.57
TDP1 Q9NUW8 1/20 0.57
IDO1 P14902 2/20 0.44
AGXT P21549 2/20 0.44
PYCR1 P32322 1/20 0.44
MAOB P27338 2/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
APP P05067 7/20 0.41
GBA1 P04062 1/20 0.41
UGCG Q16739 1/20 0.41
GBA2 Q9HCG7 1/20 0.41
CALM1 P0DP23 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE2A O00408 1/20 0.40

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
SCHEMBL23015014 0.98 L3MBTL1 (0.60) L3MBTL1TDP1IDO1AGXTPYCR1
SCHEMBL5323565 0.98 L3MBTL1 (0.60) L3MBTL1TDP1IDO1AGXTPYCR1
SCHEMBL23014810 0.95 L3MBTL1 (0.57) L3MBTL1TDP1IDO1AGXTPYCR1
SCHEMBL25372049 0.95 L3MBTL1 (0.57) L3MBTL1TDP1IDO1AGXTPYCR1
SCHEMBL23015037 0.95 L3MBTL1 (0.57) L3MBTL1TDP1IDO1AGXTPYCR1
SCHEMBL6530427 0.88 TDP1 (0.50) L3MBTL1TDP1IDO1AGXTPYCR1
SCHEMBL26490217 0.81 MIF (0.42) L3MBTL1TDP1IDO1MAOBAPP
SCHEMBL16614402 0.80 L3MBTL1 (0.54) L3MBTL1TDP1IDO1AGXTCA1
SCHEMBL16727736 0.80 L3MBTL1 (0.57) L3MBTL1TDP1IDO1AGXTCA1
SCHEMBL26490237 0.80 TDP1 (0.36) L3MBTL1TDP1MAOBAPP

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 3703/4885IDO1 3973/4885

“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.