SCHEMBL249940

SCHEMBL249940

CCCCCOc1cccc2cc(OC(C)=O)ccc12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.48
CNR2 P34972 3/20 0.48
CYP2C9 P11712 1/20 0.48
MTNR1A P48039 2/20 0.47
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
PTGS2 P35354 5/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HTR1B P28222 1/20 0.44
KCNA3 P22001 1/20 0.43

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
SCHEMBL249138 0.90 MTNR1A (0.50) MTNR1APPARGPPARAPTGS2
SCHEMBL249286 0.85 KCNA3 (0.55) CNR1CNR2CYP2C9HTR1BKCNA3
SCHEMBL15772640 0.82 KCNA3 (0.54) CYP2C9KDM4EHTR1BKCNA3
SCHEMBL29447160 0.82 KCNA3 (0.54) CYP2C9KDM4EHTR1BKCNA3
SCHEMBL9476254 0.82 KDM4E (0.50) MTNR1AKDM4EALDH1A1
SCHEMBL249236 0.80 CNR2 (0.74) CNR1CNR2CYP2C9MTNR1A
SCHEMBL27375571 0.80 MTNR1A (0.58) MTNR1A
SCHEMBL12967944 0.79 CYP2D6 (0.54) CYP2C9KDM4EHTR1BKCNA3
SCHEMBL8214320 0.79 ALDH1A1 (0.55) CNR1CNR2ALDH1A1HPGD
SCHEMBL27527363 0.79 MTNR1A (0.60) MTNR1APTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1339663-B1 NAPHTHALENE DERIVATIVES NOVARTIS AG (CH) 2012-01-04 EP disclosed
EP-2338886-A2 Naphthalene derivatives Novartis AG (CH) 2011-06-29 EP disclosed
US-7045533-B2 Such as naphthalen-1-yl-(4-pentyloxy-naphthalen-1-yl)-mehtane for treatment/prevention of diseases/conditions associated with cannobinoid receptor activation such as chronic pain, osteo- and rheumatoid arthritis, teno-synovitis and gout NOVARTIS AG (CH) 2006-05-16 US disclosed
US-20040053890-A1 Naphthalene derivatives NOVARTIS AG (CH) 2004-03-18 US disclosed
EP-1339663-A2 NAPHTHALENE DERIVATIVES Novartis AG (CH) 2003-09-03 EP disclosed
WO-2002042248-A2 NAPHTHALENE DERIVATIVES NOVARTIS AG (CH) 2002-05-30 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-20040053890-A1 Naphthalene derivatives CYP1A1, SULT1E1, CYP2F1 CNR1 35/4885CNR2 86/4885CYP2C9 149/4885

“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.