SCHEMBL2522305

SCHEMBL2522305

CC[C@@H](O)/C=C/c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP3A4 P08684 1/20 0.44
CYP1A2 P05177 1/20 0.44
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTR2A P28223 3/20 0.41
RELA Q04206 1/20 0.41
CNR2 P34972 1/20 0.41
MAOB P27338 1/20 0.41
GLA P06280 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL866662 1.00 MEN1 (0.49) MEN1KMT2ACYP3A4CYP1A2LMNA
SCHEMBL866661 1.00 MEN1 (0.49) MEN1KMT2ACYP3A4CYP1A2LMNA
SCHEMBL11959996 1.00 MEN1 (0.49) MEN1KMT2ACYP3A4CYP1A2LMNA
SCHEMBL11960056 1.00 MEN1 (0.49) MEN1KMT2ACYP3A4CYP1A2LMNA
SCHEMBL6897132 0.84 MEN1 (0.42) MEN1KMT2ACYP3A4CYP1A2NPC1
SCHEMBL6897130 0.84 MEN1 (0.42) MEN1KMT2ACYP3A4CYP1A2NPC1
SCHEMBL6449282 0.82 CYP3A4 (0.55) MEN1KMT2ACYP3A4NPC1RELA
SCHEMBL6449288 0.82 CYP3A4 (0.55) MEN1KMT2ACYP3A4NPC1RELA
SCHEMBL1853495 0.81 CYP1A2 (0.46) MEN1KMT2ACYP3A4CYP1A2LMNA
SCHEMBL1853494 0.81 CYP1A2 (0.46) MEN1KMT2ACYP3A4CYP1A2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110251390-A1 NICOTINE-BASED COMPOUNDS USEFUL FOR ASYMMETRIC SYNTHESIS NORTH CAROLINA STATE UNIVERSITY 2011-10-13 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-20110251390-A1 NICOTINE-BASED COMPOUNDS USEFUL FOR ASYMMETRIC SYNTHESIS PNMT, NAPRT, PHOSPHO1 MEN1 2094/4885KMT2A 1086/4885CYP3A4 2419/4885

“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.