SCHEMBL5041111

SCHEMBL5041111

CCCCCCCN(C)c1cc(OC)cc(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.41
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
PTGS2 P35354 1/20 0.40
MAOA P21397 3/20 0.40
MAOB P27338 3/20 0.40
ALDH1A1 P00352 1/20 0.39
DNM1 Q05193 3/20 0.39
PLA2G2A P14555 1/20 0.39
BLM P54132 1/20 0.39
AHR P35869 1/20 0.38
CALM1 P0DP23 1/20 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
SCHEMBL7744290 0.84 PLA2G2A (0.46) GPR84MTNR1AMTNR1BPTGS2MAOA
SCHEMBL21611345 0.84 PLA2G2A (0.46) GPR84MTNR1AMTNR1BPTGS2MAOA
SCHEMBL21611346 0.84 PLA2G2A (0.46) GPR84MTNR1AMTNR1BPTGS2MAOA
SCHEMBL20746927 0.82 CNR2 (0.47) ALDH1A1DNM1
SCHEMBL10787032 0.82 CNR2 (0.47) ALDH1A1DNM1
SCHEMBL14447064 0.82 CNR2 (0.47) ALDH1A1DNM1
SCHEMBL10786365 0.82 CNR2 (0.47) ALDH1A1DNM1
SCHEMBL5044195 0.81 GPR84 (0.38) GPR84PTGS2
SCHEMBL13261439 0.80 MAPT (0.47) ALDH1A1
SCHEMBL24495927 0.77 PLA2G2A (0.58) MAOAMAOBPLA2G2ABLMAHR

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
EP-1545502-A4 KETO CANNABINOIDS WITH THERAPEUTIC INDICATIONS UNIV CONNECTICUT (US) 2008-12-24 EP disclosed
US-20070155701-A1 KETO CANNABINOIDS WITH THERAPEUTIC INDICATIONS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-07-05 US disclosed
US-7183313-B2 Keto cannabinoids with therapeutic indications UNIVERSITY OF CONNECTICUT (US) 2007-02-27 US disclosed
CN-1678303-A Keto cannabinoids with therapeutic effect UNIV CONNECTICUT (US) 2005-10-05 CN disclosed
EP-1545502-A2 KETO CANNABINOIDS WITH THERAPEUTIC INDICATIONS THE UNIVERSITY OF CONNECTICUT (US) 2005-06-29 EP disclosed
US-20050074408-A1 Keto cannabinoids with therapeutic indications UNIVERSITY OF CONNECTICUT (US) 2005-04-07 US disclosed
WO-2004017922-A2 KETO CANNABINOIDS WITH THERAPEUTIC INDICATIONS UNIVERSITY OF CONNECTICUT (US) 2004-03-04 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 (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-20050074408-A1 Keto cannabinoids with therapeutic indications CNR2, CNR1, FAAH GPR84 421/4885MTNR1A 866/4885MTNR1B 542/4885
US-20070155701-A1 KETO CANNABINOIDS WITH THERAPEUTIC INDICATIONS CNR2, CNR1, FAAH GPR84 421/4885MTNR1A 866/4885MTNR1B 542/4885

“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.