SCHEMBL9942067

SCHEMBL9942067

C=C1C(=O)OC2C(C)OCC/C=C(/C)CCC12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 5/20 0.58
▸ ALDH1A1 P00352 4/20 0.58
▸ LMNA P02545 3/20 0.58
▸ TP53 P04637 3/20 0.58
▸ CYP3A4 P08684 3/20 0.58
▸ NLRP3 Q96P20 3/20 0.58
▸ NFKB1 P19838 2/20 0.58
▸ CYP1A2 P05177 2/20 0.58
▸ STAT6 P42226 2/20 0.58
▸ MAPT P10636 2/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ CASP1 P29466 1/20 0.58
▸ PTGS2 P35354 1/20 0.58
▸ NFKB2 Q00653 1/20 0.58
▸ RELA Q04206 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ THPO P40225 1/20 0.58

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
SCHEMBL12463778 0.77 PKM (0.69) PKMALDH1A1LMNATP53CYP3A4
SCHEMBL19222392 0.76 PKM (0.67) PKMALDH1A1LMNATP53CYP3A4
SCHEMBL14440787 0.75 PKM (0.66) PKMALDH1A1LMNATP53CYP3A4
SCHEMBL11891062 0.74 PKM (0.52) PKMALDH1A1LMNATP53CYP3A4
SCHEMBL14648703 0.74 PKM (0.52) PKMALDH1A1LMNATP53CYP3A4
Parthenolide SCHEMBL21998728 0.73 PKM (1.00) PKMALDH1A1LMNATP53CYP3A4
Parthenolide SCHEMBL8220 0.73 PKM (1.00) PKMALDH1A1LMNATP53CYP3A4
Parthenolide SCHEMBL20438846 0.73 PKM (1.00) PKMALDH1A1LMNATP53CYP3A4
Parthenolide SCHEMBL6479221 0.73 PKM (1.00) PKMALDH1A1LMNATP53CYP3A4
Parthenolide SCHEMBL1753337 0.73 PKM (1.00) PKMALDH1A1LMNATP53CYP3A4

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-20120148604-A1 TRP INHIBITORS AND USES THEREOF TRANSPOSAGEN BIOPHARMACEUTICALS, INC. (US) 2012-06-14 — — US disclosed
US-20070027164-A1 Agents for treating neurodegenerative diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-02-01 — — 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 (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-20120148604-A1 TRP INHIBITORS AND USES THEREOF TRPC4, TRPC1, TRPC3 PKM 4329/4885ALDH1A1 4359/4885LMNA 4221/4885
US-20070027164-A1 Agents for treating neurodegenerative diseases HTT, NLN, CLN6 PKM 2178/4885ALDH1A1 2584/4885LMNA 1866/4885

“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.

Send feedback