SCHEMBL10146110

SCHEMBL10146110

CC(C)(C)c1cc(-c2noc(C(C)(C)C)n2)on1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CNR2 P34972 19/20 0.39
CNR1 P21554 3/20 0.38

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
SCHEMBL13618561 0.88 ALDH1A1 (0.34) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL352500 0.76 HDAC4 (0.41) CNR2CNR1
SCHEMBL352122 0.74 CNR2 (0.43) CNR2CNR1
SCHEMBL351388 0.72 CNR2 (0.44) CNR2CNR1
SCHEMBL10146116 0.70 CYP1A2 (0.37) ALDH1A1CNR2
SCHEMBL9344850 0.69 CNR2 (0.48) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL31375602 0.69 NPC1 (0.54) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL20043166 0.69 CNR2 (0.48) CNR2CNR1
SCHEMBL10146108 0.68 PIK3CG (0.44) KDM4EALDH1A1HPGDHSD17B10CNR2
SCHEMBL77622 0.67 NR1H4 (0.57) KDM4EALDH1A1HSD17B10

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-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-19 US disclosed
US-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-19 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-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor CNR2, CNR1, TRPV1 KDM4E 2157/4885ALDH1A1 2844/4885LMNA 4742/4885

“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.