SCHEMBL851880

SCHEMBL851880

COc1ccc(B(O)O)cc1C1C2CC3CC(C2)CC1C3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 5/20 0.36
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CA9 Q16790 2/20 0.33
CA12 O43570 1/20 0.33
CTSD P07339 3/20 0.32
BACE1 P56817 3/20 0.32
BACE2 Q9Y5Z0 3/20 0.32
SCN9A Q15858 1/20 0.32
PKM P14618 1/20 0.32
CNR2 P34972 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32

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
SCHEMBL641032 0.80 HTR2C (0.43) CYP3A4CYP2C9CYP2C19
SCHEMBL16516779 0.77 CYP3A4 (0.37) CA1CA2CYP3A4CYP2C9CYP2C19
SCHEMBL645528 0.77 ALDH1A1 (0.45) CYP3A4CYP2C9CYP2C19
SCHEMBL8026248 0.76 ENPP2 (0.41) ENPP2CA1CA2TUBB4ATUBB
SCHEMBL7052653 0.73 HTR2C (0.46) CA1CA2CA9CA12
SCHEMBL8796050 0.71 CYP3A4 (0.35) CYP3A4CYP2C9CYP2C19SCN9ATUBB4A
SCHEMBL404823 0.71 RARA (0.51) CTSDBACE1BACE2PKMCNR2
SCHEMBL31482681 0.71 RARA (0.51) CTSDBACE1BACE2PKMCNR2
SCHEMBL23114 0.69 ENPP2 (0.52) ENPP2CA1CA2CYP3A4CYP2C9
SCHEMBL3191612 0.69 ALDH1A1 (0.53) ENPP2CA1CA2CYP3A4TUBB4A

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 disclosed
US-20100160677-A1 PROCESS FOR PREPARATION OF 6-[3-(1-ADMANTYL)-4-METHOXYPHENYL]-2-NAPHTOIC ACID. JSC GRINDEKS (LV) 2010-06-24 US disclosed
EP-2139838-A2 A PROCESS FOR THE PREPARATION OF 6-Ý3-(1-ADAMANTYL)-4-METHOXYPHENYL-2-NAPHTOIC ACID Grindeks, a joint stock company (LV) 2010-01-06 EP disclosed
WO-2008080992-A3 A PROCESS FOR THE PREPARATION OF 6-[3-(1-ADAMANTYL)-4-METHOXYPHENYL-2-NAPHTOIC ACID KALVINSH IVARS (LV) 2008-09-18 WO disclosed
WO-2008080992-A2 A PROCESS FOR THE PREPARATION OF 6-[3-(1-ADAMANTYL)-4-METHOXYPHENYL-2-NAPHTOIC ACID KALVINSH IVARS (LV) 2008-07-10 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-20100160677-A1 PROCESS FOR PREPARATION OF 6-[3-(1-ADMANTYL)-4-METHOXYPHENYL]-2-NAPHTOIC ACID. ME1, CD274, PDCD1LG2 ENPP2 2737/4885CA1 714/4885CA2 1301/4885

“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.