SCHEMBL646869

SCHEMBL646869

Cc1cccc(C)c1-c1ccc(C(C)(C)C)c(C(C)(C)C)c1P

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
MYC P01106 1/20 0.32
CA2 P00918 1/20 0.31

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
SCHEMBL9960735 0.83 GABRA1 (0.35) GABRA1GABRB2
SCHEMBL3684193 0.80 GABRA1 (0.47) GABRA1GABRB2CNR1CNR2MYC
SCHEMBL30135690 0.75 ALDH1A1 (0.32) CNR1CNR2
SCHEMBL348409 0.75 ALDH1A1 (0.32) CNR1CNR2
SCHEMBL3400462 0.72 MYC (0.47) MYCCA2
SCHEMBL1927917 0.71 GABRA1 (0.58) GABRA1GABRB2CA2
SCHEMBL1728407 0.70 GABRA1 (0.31) GABRA1GABRB2
SCHEMBL14877302 0.68 GABRA1 (0.60) GABRA1GABRB2MYCCA2
SCHEMBL20780625 0.67 GABRA1 (0.34) GABRA1GABRB2CA2
SCHEMBL301235 0.66 CA2 (0.48) GABRA1GABRB2CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139838-B1 A PROCESS FOR THE PREPARATION OF 6-[3-(1-ADAMANTYL)-4-METHOXYPHENYL]-2-NAPHTOIC ACID GRINDEKS JSC (LV) 2012-03-28 EP claimed
EP-2139839-B1 A METHOD FOR PREPARATION OF 6-Ý3-(1-ADAMANTYL)-4-METHOXYPHENYL¨-2-NAPHTOIC ACID GRINDEKS JSC (LV) 2012-03-28 EP claimed
US-8119835-B2 Method for preparation of 6-[3-(1-adamantyl)-4-methoxyphenyl]-2-naphtoic acid JSC GRINDEKS (LV) 2012-02-21 US claimed
US-20100076219-A1 METHOD FOR PREPARATION OF 6-[3(1-ADAMANTYL) -4-METHOXYPHENYL]-2-NAPHTOIC ACID JSC GRINDEKS (LV) 2010-03-25 US claimed
US-20100160677-A1 PROCESS FOR PREPARATION OF 6-[3-(1-ADMANTYL)-4-METHOXYPHENYL]-2-NAPHTOIC ACID. JSC GRINDEKS (LV) 2010-06-24 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 (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-20100076219-A1 METHOD FOR PREPARATION OF 6-[3(1-ADAMANTYL) -4-METHOXYPHENYL]-2-NAPHTOIC ACID HPD, DERA, DHCR7 GABRA1 39/4885GABRB2 235/4885CNR1 169/4885
US-20100160677-A1 PROCESS FOR PREPARATION OF 6-[3-(1-ADMANTYL)-4-METHOXYPHENYL]-2-NAPHTOIC ACID. ME1, CD274, PDCD1LG2 GABRA1 169/4885GABRB2 516/4885CNR1 1162/4885

“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.