SCHEMBL4633271

SCHEMBL4633271

COc1[c]c(C(C)(C)C)ccc1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL753971 0.81 ACHE (0.33) KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL207429 0.78 CA2 (0.38) ALDH1A1
SCHEMBL57641 0.78 ALDH1A1 (0.41) KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL29213578 0.76 CA2 (0.36)
SCHEMBL7953267 0.72 CA2 (0.33)
SCHEMBL29160711 0.70 SMN1; SMN2 (0.35) KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL455316 0.70
SCHEMBL887637 0.70 GABRA1 (0.32)
SCHEMBL158204 0.68
SCHEMBL7496964 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116802187-A Organometallic compounds 优米科尔股份公司及两合公司 2023-09-22 CN disclosed
US-8586612-B2 Piperidinesulfonylureas and -thioureas, their preparation, their use and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2013-11-19 US disclosed
EP-1828131-B1 PIPERIDINESULFONYLUREAS AND -THIOUREAS, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM SANOFI AVENTIS DEUTSCHLAND (DE) 2008-06-04 EP disclosed
US-20080033016-A1 Piperidinesulfonylureas and -thioureas, their preparation, their use and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-02-07 US disclosed
EP-1828131-A1 PIPERIDINESULFONYLUREAS AND -THIOUREAS, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Sanofi-Aventis Deutschland GmbH (DE) 2007-09-05 EP disclosed
WO-2006063722-A1 PIPERIDINESULFONYLUREAS AND -THIOUREAS, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-06-22 WO disclosed
US-4169106-A Antiarrhythmic N,N'-bis(phenylcarbamoylalkyl)amidines COOPER LABORATORIES, INC. (US) 1979-09-25 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-20080033016-A1 Piperidinesulfonylureas and -thioureas, their preparation, their use and pharmaceutical compositions comprising them ATP2A1, ATP2A3, ATP2A2 KDM4E 2378/4885ALDH1A1 1738/4885MAPK1 2721/4885

“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.