SCHEMBL4705097

SCHEMBL4705097

CC1CC(=O)CC(C(C)C)C1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.31
CRBN Q96SW2 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 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
SCHEMBL918389 0.85 MAPK1 (0.41) MAPK1MEN1KMT2ANOS3NOS1
SCHEMBL1089769 0.80
SCHEMBL339946 0.77
SCHEMBL3664749 0.77
SCHEMBL10934052 0.77
SCHEMBL10934045 0.77
SCHEMBL16581378 0.76 MEN1 (0.41) MAPK1MEN1KMT2A
SCHEMBL1073565 0.71
SCHEMBL1047817 0.70 MAPT (0.41) MAPK1KMT2ANOS3NOS1NOS2
SCHEMBL16253822 0.70 NOS3 (0.31) NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115551825-A Lilac type aromatic compound 西姆莱斯有限公司 2022-12-30 CN disclosed
EP-1871776-A2 FUSED THIENO[2,3-B]PYRIDINE AND THIAZOLO[5,4-B]PYRIDINE COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION (US) 2008-01-02 EP disclosed
US-20060247320-A1 Compounds for inhibiting KSP kinesin activity SCHERING CORPORATION 2006-11-02 US disclosed
WO-2006098961-A2 FUSED THIENO [2, 3-B] PYRIDINE AND THIAZOLO [5, 4-B] PYRIDINE COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION (US) 2006-09-21 WO 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-20060247320-A1 Compounds for inhibiting KSP kinesin activity KIFC1, KIF5B, KIF2C MAPK1 1014/4885CRBN 1944/4885MEN1 1880/4885

“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.