SCHEMBL12476201

SCHEMBL12476201

COc1ncc(C=O)c2c(C)cccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.36
TNKS O95271 1/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
ERN1 O75460 3/20 0.35
TLR2 O60603 1/20 0.35
TLR1 Q15399 1/20 0.35
TLR6 Q9Y2C9 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MCL1 Q07820 1/20 0.35
ELANE P08246 2/20 0.34
EDNRA P25101 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL22360135 0.80 ALDH1A1 (0.41) ALDH1A1TSHRKMT2ATNKSELANE
SCHEMBL22094077 0.79 ALDH1A1 (0.48) ALDH1A1KMT2AEGFRERBB2ERN1
SCHEMBL12476702 0.78 ALDH1A1 (0.37) ALDH1A1KMT2AEGFRERBB2ELANE
SCHEMBL12476750 0.78 ALDH1A1 (0.38) ALDH1A1TNKSELANEEDNRACYP1A2
SCHEMBL12476286 0.75 KDM4E (0.44) ALDH1A1CYP1A2KDM4EHPGD
SCHEMBL21267856 0.74 KMT2A (0.39) ALDH1A1TSHRKMT2ACA1CA2
SCHEMBL14064716 0.74 KMT2A (0.47) TSHRKMT2A
SCHEMBL18835858 0.74 ALDH1A1 (0.43) TRIM24TRIM33ALDH1A1TSHRKMT2A
SCHEMBL12476621 0.74 CA2 (0.41) ALDH1A1TNKSCA1CA2EDNRA
SCHEMBL12476635 0.74 CCR4 (0.38) TNKSELANEEDNRAKDM4E

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
US-9006442-B2 Cannabinoid receptor modulators LUPIN LIMITED (IN) 2015-04-14 US disclosed
US-20130178457-A1 CANNABINOID RECEPTOR MODULATORS LUPIN LIMITED (IN) 2013-07-11 US disclosed
WO-2013005168-A2 CANNABINOID RECEPTOR MODULATORS LUPIN LIMITED (IN) 2013-01-10 WO disclosed
WO-2012090177-A2 CANNABINOID RECEPTOR MODULATORS LUPIN LIMITED (IN) 2012-07-05 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-20130178457-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, GPR18 TRIM24 4797/4885TRIM33 4434/4885ALDH1A1 1861/4885

“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.