SCHEMBL16614396

SCHEMBL16614396

CCCCCCOCc1ccc(OC)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.67
TDP1 Q9NUW8 1/20 0.67
NR5A1 Q13285 1/20 0.49
IDO1 P14902 2/20 0.48
AGXT P21549 2/20 0.48
PLA2G4B P0C869 1/20 0.47
GBA1 P04062 1/20 0.46
UGCG Q16739 1/20 0.46
GBA2 Q9HCG7 1/20 0.46
MMP2 P08253 2/20 0.46
MMP9 P14780 2/20 0.46
MMP8 P22894 2/20 0.46
MMP13 P45452 2/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
APP P05067 4/20 0.45
CALM1 P0DP23 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44

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
SCHEMBL17230523 0.98 L3MBTL1 (0.64) L3MBTL1TDP1NR5A1IDO1AGXT
SCHEMBL15233070 0.94 TDP1 (0.63) L3MBTL1TDP1IDO1AGXTCA1
SCHEMBL26479537 0.91 L3MBTL1 (0.57) L3MBTL1TDP1NR5A1IDO1AGXT
SCHEMBL28625178 0.89 TDP1 (0.57) L3MBTL1TDP1IDO1AGXTCA1
SCHEMBL17032624 0.87 L3MBTL1 (0.53) L3MBTL1TDP1NR5A1IDO1AGXT
SCHEMBL16727730 0.87 L3MBTL1 (0.53) L3MBTL1TDP1NR5A1IDO1AGXT
SCHEMBL3758628 0.85 CA1 (0.61) L3MBTL1TDP1NR5A1PLA2G4BCA1
SCHEMBL12462062 0.85 TDP1 (0.56) L3MBTL1TDP1IDO1AGXTCA1
SCHEMBL14232113 0.85 NR5A1 (0.57) L3MBTL1TDP1NR5A1PLA2G4B
SCHEMBL14926408 0.85 NR5A1 (0.57) L3MBTL1TDP1NR5A1PLA2G4B

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-20240228495-A1 Tricyclic Inhibitors of Influenza Virus Endonuclease STANFORD RES INST INT (US) 2024-07-11 US disclosed
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 (2 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-20240228495-A1 Tricyclic Inhibitors of Influenza Virus Endonuclease RNASEH1, RNASEL, DNASE1 L3MBTL1 1367/4885TDP1 49/4885NR5A1 3406/4885
US-20160318862-A1 SYNTHESIS OF DELTA 12-PGJ3 AND RELATED COMPOUNDS DGKZ, DGKG, DNAJA3 L3MBTL1 4273/4885TDP1 3703/4885NR5A1 3001/4885

“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.