SCHEMBL4985246

SCHEMBL4985246

COC(=O)C(C)(C)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
EPHX2 P34913 2/20 0.38
LMNA P02545 1/20 0.38
EPHX1 P07099 1/20 0.38
ALDH1A1 P00352 4/20 0.37
TSHR P16473 1/20 0.37
FAAH O00519 1/20 0.36
CNR2 P34972 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL3294818 0.78 GLA (0.41) GLAMEN1KMT2AMAPK1EPHX2
SCHEMBL4985264 0.77 LMNA (0.37) MEN1KMT2AMAPK1EPHX2LMNA
SCHEMBL4990698 0.77 THRB (0.38) MEN1KMT2AMAPK1EPHX2LMNA
SCHEMBL17049827 0.73 KMT2A (0.41) GLAMEN1KMT2AMAPK1EPHX2
SCHEMBL14695957 0.73 GLA (0.47) GLALMNAALDH1A1TSHRHTT
Ammonia Solution, Strong SCHEMBL28066812 0.72 KMT2A (0.40) GLAMEN1KMT2AMAPK1EPHX2
SCHEMBL14559451 0.71 ALDH1A1 (0.33) ALDH1A1
SCHEMBL13638396 0.71 MEN1 (0.38) GLAMEN1KMT2AMAPK1EPHX2
SCHEMBL18804152 0.71 EPHX1 (0.33) MEN1KMT2AMAPK1EPHX2LMNA
SCHEMBL12969796 0.70 PKM (0.35) ALDH1A1TSHRCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US disclosed
EP-1860942-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2007-12-05 EP disclosed
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US disclosed
WO-2006102610-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2006-09-28 WO disclosed
US-20060217448-A1 e.g. 4-benzyl-N-[2-(2-chlorophenyl)ethyl]-4,7,9-triazabicyclo[4.4.0]deca-7,9,11-triene-10-carboxamide; antiinflammatory and analgesic agent; rheumatoid arthritis, osteoarthritis, Parkinson's disease, uveitis, asthma, cardiovascular conditions, myocardial infarction RENOVIS, INC. 2006-09-28 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-20060217448-A1 e.g. 4-benzyl-N-[2-(2-chlorophenyl)ethyl]-4,7,9-triazabicyclo[4.4.0]deca-7,9,11-triene-10-carboxamide; antiinflammatory and analgesic agent; rheumatoid arthritis, osteoarthritis, Parkinson's disease, uveitis, asthma, cardiovascular conditions, myocardial infarction PARK7, UACA, PTGER4 GLA 96/4885MEN1 4084/4885KMT2A 3134/4885
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 GLA 2805/4885MEN1 4853/4885KMT2A 4614/4885

“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.