SCHEMBL3949360

SCHEMBL3949360

CCc1ccc2c(O)c(CC)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP2A6 P11509 1/20 0.47
TRPA1 O75762 1/20 0.44
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
DAO P14920 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41

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
SCHEMBL3952349 0.87 TRPA1 (0.45) CYP1A2CYP2A6TRPA1AKR1C3AKR1C2
SCHEMBL10337363 0.85 HPGD (0.42) CYP1A2
SCHEMBL11470643 0.83 LCK (0.43) AKR1C3AKR1C2TUBB4ATUBBTUBA3C
SCHEMBL6351021 0.83 TRPA1 (0.55) CYP1A2CYP2A6TRPA1AKR1C3AKR1C2
SCHEMBL8362494 0.80 LDHA (0.53) CYP1A2CYP2A6AKR1C3AKR1C2
SCHEMBL8653130 0.79 CYP1A2 (0.48) CYP1A2CYP2A6TRPA1AKR1C3AKR1C2
SCHEMBL4123235 0.78 CYP1A2 (0.47) CYP1A2CYP2A6TRPA1AKR1C3AKR1C2
SCHEMBL7599568 0.77 AKR1C3 (0.46) CYP1A2CYP2A6TRPA1AKR1C3AKR1C2
SCHEMBL8974260 0.77 MEN1 (0.45) CYP1A2CYP2A6TUBB4ATUBBTUBA3C
SCHEMBL7843943 0.76 CYP1A2 (0.54) CYP1A2CYP2A6TRPA1AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514520-B2 Process for producing phosphonitrilic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2009-04-07 US disclosed
US-20080091050-A1 Process For Producing Phosphonitrilic Acid Ester ASAHI KASEI CHEMICAL CORPORATION (JP) 2008-04-17 US disclosed
US-20070060739-A1 Process for producing phosphonitrilic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2007-03-15 US disclosed
CN-1798753-A Process for producing phosphonitrilic acid ester ASAHI CHEMICAL CORP (JP) 2006-07-05 CN disclosed
EP-0669328-B1 Complexes of morpholine derivatives and ketocarboxylic acids as corrosion inhibitors CIBA GEIGY AG (CH) 1998-09-30 EP disclosed
EP-0619290-B1 Salts of alkaline earth metals and transition metals as well as complexes of transition metals of ketocarboxylic acids and their use as corrosion inhibitors CIBA GEIGY AG (CH) 1996-10-09 EP disclosed
US-5519074-A PROTECTIVE CIBA-GEIGY CORPORATION (US) 1996-05-21 US disclosed
US-5458678-A Alkaline earth metal salts, transition metal salts and transition metal complexes of ketocarboxylic acids as corrosion inhibitors CIBA-GEIGY CORPORATION (US) 1995-10-17 US disclosed
EP-0669328-A1 Complexes of morpholine derivatives and ketocarboxylic acids as corrosion inhibitors CIBA-GEIGY AG (CH) 1995-08-30 EP 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-20080091050-A1 Process For Producing Phosphonitrilic Acid Ester PHOSPHO1, GNPAT, SELENOI CYP1A2 1255/4885CYP2A6 929/4885TRPA1 3002/4885

“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.