SCHEMBL646868

SCHEMBL646868

Cc1cccc(C)c1-c1ccccc1P(C(C)(C)C)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.42
PDK2 Q15119 1/20 0.38
HTR7 P34969 2/20 0.37
CD44 P16070 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
TSHR P16473 2/20 0.33
ACHE P22303 1/20 0.33
NTRK1 P04629 1/20 0.33
CYP3A4 P08684 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
DPP4 P27487 1/20 0.31
NPC1 O15118 2/20 0.31
CASP3 P42574 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 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
SCHEMBL18805855 0.85 PDK2 (0.38) PDK2HTR7CA1CA2CA7
SCHEMBL196673 0.84 NPC1 (0.36) HTR7CA1CA2CA9TSHR
SCHEMBL29548615 0.84 NPC1 (0.36) HTR7CA1CA2CA9TSHR
SCHEMBL17930297 0.81 NPC1 (0.30) NPC1CASP3RAB9ASMN1; SMN2SENP7
SCHEMBL29492107 0.81 ALDH1A1 (0.30) NPC1CASP3RAB9ASENP7SENP6
SCHEMBL333685 0.81 ALDH1A1 (0.30) NPC1CASP3RAB9ASENP7SENP6
SCHEMBL2848640 0.80 PTPRC (0.42) PDK2CD44TSHRCYP3A4DPP4
SCHEMBL1156372 0.79 TSHR (0.43) CD44CA1CA2CA7CA9
SCHEMBL2620734 0.77 TOP1 (0.42) PDK2HTR7CA1CA2CA7
SCHEMBL3680534 0.75 TRPA1 (0.44) CD44CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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-20100160677-A1 PROCESS FOR PREPARATION OF 6-[3-(1-ADMANTYL)-4-METHOXYPHENYL]-2-NAPHTOIC ACID. JSC GRINDEKS (LV) 2010-06-24 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
EP-2139839-B1 A METHOD FOR PREPARATION OF 6-Ý3-(1-ADAMANTYL)-4-METHOXYPHENYL¨-2-NAPHTOIC ACID GRINDEKS JSC (LV) 2012-03-28 EP disclosed
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-8119835-B2 Method for preparation of 6-[3-(1-adamantyl)-4-methoxyphenyl]-2-naphtoic acid JSC GRINDEKS (LV) 2012-02-21 US 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
US-20100076219-A1 METHOD FOR PREPARATION OF 6-[3(1-ADAMANTYL) -4-METHOXYPHENYL]-2-NAPHTOIC ACID JSC GRINDEKS (LV) 2010-03-25 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 MYC 1626/4885PDK2 332/4885HTR7 1133/4885
US-20100160677-A1 PROCESS FOR PREPARATION OF 6-[3-(1-ADMANTYL)-4-METHOXYPHENYL]-2-NAPHTOIC ACID. ME1, CD274, PDCD1LG2 MYC 2806/4885PDK2 38/4885HTR7 1093/4885

“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.