SCHEMBL249286

SCHEMBL249286

CCCCCOc1ccc2c(OCCCCC)cccc2c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 2/20 0.55
HTR1B P28222 4/20 0.51
TSHR P16473 1/20 0.50
HTR1D P28221 1/20 0.49
MCHR1 Q99705 2/20 0.48
SLC6A4 P31645 1/20 0.48
CYP2C9 P11712 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
GPBAR1 Q8TDU6 2/20 0.47
CYSLTR2 Q9NS75 1/20 0.47
CYSLTR1 Q9Y271 1/20 0.47
LTA4H P09960 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46

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
SCHEMBL15772640 0.97 KCNA3 (0.54) KCNA3HTR1BHTR1DMCHR1SLC6A4
SCHEMBL29447160 0.97 KCNA3 (0.54) KCNA3HTR1BHTR1DMCHR1SLC6A4
SCHEMBL15772317 0.90 KCNA3 (0.50) KCNA3HTR1BHTR1DMCHR1SLC6A4
SCHEMBL2098201 0.88 TSHR (0.49) KCNA3TSHRMCHR1GPBAR1CYSLTR2
SCHEMBL12967944 0.88 CYP2D6 (0.54) KCNA3HTR1BHTR1DMCHR1SLC6A4
SCHEMBL15772818 0.88 MAPK1 (0.46) KCNA3HTR1BSLC6A4CYP2C9CYP1A2
SCHEMBL249940 0.85 CNR1 (0.48) KCNA3HTR1BCYP2C9CNR1CNR2
SCHEMBL249138 0.85 MTNR1A (0.50)
SCHEMBL9421991 0.84 KCNA3 (0.54) KCNA3HTR1BHTR1DMCHR1SLC6A4
SCHEMBL10604096 0.84 KCNA3 (0.54) KCNA3HTR1BHTR1DMCHR1SLC6A4

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
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

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 KCNA3 874/4885HTR1B 914/4885TSHR 2664/4885

“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.