SCHEMBL16600029

SCHEMBL16600029

CC(O)C[CH]c1ccc2ccccc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.59
MAPT P10636 6/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
HTT P42858 2/20 0.59
TP53 P04637 1/20 0.59
RAB9A P51151 8/20 0.49
NPC1 O15118 7/20 0.49
KDM4E B2RXH2 7/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 1/20 0.47
PKM P14618 2/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
ECE2 P0DPD6 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42

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
SCHEMBL177539 0.78 RAB9A (0.53) LMNAMAPTSMN1; SMN2HTTTP53
SCHEMBL1163276 0.77 NPC1 (0.56) LMNAMAPTSMN1; SMN2HTTTP53
SCHEMBL13283127 0.75 MAPT (1.00) LMNAMAPTSMN1; SMN2HTTTP53
SCHEMBL269679 0.74 RAB9A (0.49) LMNAMAPTSMN1; SMN2HTTTP53
SCHEMBL14266487 0.70 MAPT (0.75) LMNAMAPTSMN1; SMN2HTTTP53
SCHEMBL8671337 0.70 RAB9A (0.53) LMNAMAPTSMN1; SMN2HTTTP53
SCHEMBL8617798 0.70 CYP1A2 (0.58) LMNAMAPTSMN1; SMN2HTTTP53
SCHEMBL8667791 0.70 NPC1 (0.49) LMNAMAPTSMN1; SMN2HTTTP53
SCHEMBL267838 0.70 RAB9A (0.57) LMNAMAPTSMN1; SMN2HTTTP53
SCHEMBL108424 0.70 RAB9A (0.57) LMNAMAPTSMN1; SMN2HTTTP53

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-20160318862-A1 SYNTHESIS OF DELTA 12-PGJ3 AND RELATED COMPOUNDS WILLIAM MARSH RICE UNIVERSITY (US) 2016-11-03 US disclosed
EP-3049072-A1 SYNTHESIS OF DELTA 12-PGJ3 AND RELATED COMPOUNDS William Marsh Rice University (US) 2016-08-03 EP 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 LMNA 1051/4885MAPT 4401/4885SMN1; SMN2 4692/4885

“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.