SCHEMBL4545200

SCHEMBL4545200

CCOOc1c(C)cc(C(C)=O)cc1-c1cc(C(C)=O)cc(CO)c1C

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.36
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4545199 0.72 LMNA (0.49) PKMALDH1A1
SCHEMBL14203242 0.67 CREBBP (0.46) ALDH1A1TSHRSMN1; SMN2
SCHEMBL4548527 0.62 LMNA (0.40) ALDH1A1TSHRSMN1; SMN2
SCHEMBL10201806 0.61 CA5A (0.44) PKMALDH1A1SMN1; SMN2
SCHEMBL2796551 0.61 LMNA (0.52) PKMALDH1A1
SCHEMBL12253686 0.61 PKM (0.57) PKMALDH1A1
SCHEMBL1909365 0.61 PKM (0.61) PKMALDH1A1SMN1; SMN2
SCHEMBL13199303 0.61 TPMT (0.50) PKMALDH1A1TSHR
SCHEMBL96185 0.60 CA5A (0.52) SMN1; SMN2
SCHEMBL8675250 0.60 KDM4E (0.49) ALDH1A1TSHR

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 PKM 2960/4885ALDH1A1 978/4885TSHR 4469/4885

“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.