SCHEMBL4545199

SCHEMBL4545199

COc1cc(C(C)=O)cc(-c2cc(C(C)=O)cc(CO)c2C)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ALDH1A1 P00352 6/20 0.42
PKM P14618 1/20 0.41
CYP3A4 P08684 1/20 0.41
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.39
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
IMPDH2 P12268 1/20 0.38
THRB P10828 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL4545186 0.79 LMNA (0.62) LMNAMEN1KMT2AALDH1A1PKM
SCHEMBL12327904 0.78 LMNA (0.69) LMNAMEN1KMT2ARXFP1ALDH1A1
SCHEMBL14732689 0.78 LMNA (0.55) LMNAMEN1KMT2ARXFP1ALDH1A1
SCHEMBL13970537 0.78 LMNA (0.70) LMNAMEN1KMT2AALDH1A1PKM
SCHEMBL16471659 0.76 LMNA (0.53) LMNAMEN1KMT2AALDH1A1PKM
SCHEMBL10354178 0.76 MEN1 (0.46) LMNAMEN1KMT2ARXFP1ALDH1A1
SCHEMBL13141010 0.73 LMNA (0.62) LMNAMEN1KMT2ARXFP1ALDH1A1
SCHEMBL801824 0.73 LMNA (0.62) LMNAMEN1KMT2ARXFP1ALDH1A1
SCHEMBL4545200 0.72 PKM (0.36) ALDH1A1PKM
SCHEMBL14003532 0.72 ALDH1A1 (0.69) MEN1KMT2ARXFP1ALDH1A1PKM

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-8962600-B2 Neuroprotective compounds and their use THE MEDICAL COLLEGE OF WISCONSIN, INC. (US) 2015-02-24 US disclosed
US-20120108549-A1 NEUROPROTECTIVE COMPOUNDS AND THEIR USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-05-03 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-20120108549-A1 NEUROPROTECTIVE COMPOUNDS AND THEIR USE NLN, ATP6V1B2, BDNF LMNA 653/4885MEN1 4138/4885KMT2A 4740/4885

“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.