SCHEMBL12896139

SCHEMBL12896139

CC(C)Oc1ccc(-c2ccco2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.43
▸ MAPT P10636 8/20 0.43
▸ HPGD P15428 6/20 0.43
▸ GAA P10253 3/20 0.43
▸ KDM4E B2RXH2 9/20 0.40
▸ RAB9A P51151 6/20 0.40
▸ TP53 P04637 5/20 0.40
▸ HSD17B10 Q99714 5/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ TSHR P16473 3/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ BLM P54132 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C8 P10632 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37

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
SCHEMBL12924613 0.82 PTGS1 (0.49) ALDH1A1MAPTHPGDKDM4ERAB9A
SCHEMBL12896119 0.75 LTA4H (0.40) ALDH1A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL12896143 0.75 CYP1A2 (0.35) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL12896105 0.73 CYP11B1 (0.53) MAPTRAB9ATP53NPC1SMN1; SMN2
SCHEMBL14973813 0.73 CCR1 (0.56) ALDH1A1MAPTHPGDGAAKDM4E
SCHEMBL12896215 0.72 CYP11B1 (0.43) ALDH1A1HSD17B10TSHRCYP11B1CYP11B2
SCHEMBL31064975 0.71 ALDH1A1 (0.52) ALDH1A1MAPTHPGDGAAKDM4E
SCHEMBL14973812 0.71 CYP11B1 (0.47) ALDH1A1MAPTHPGDGAAKDM4E
SCHEMBL1318850 0.70 SIRT1 (0.38) ALDH1A1MAPTHPGDGAAKDM4E
SCHEMBL12896195 0.70 CYP2C9 (0.38) RAB9ANPC1CYP3A4CYP2C8CYP2C9

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-9149465-B2 Isoxazolines as inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-10-06 — — US disclosed
US-8927551-B2 Isoxazolines as inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-01-06 — — US disclosed
US-8765735-B2 Isoxazolines as inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2014-07-01 — — US disclosed
US-20110034437-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-10 — — US disclosed
US-20110034437-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-10 — — US disclosed
US-20110028482-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-03 — — US disclosed
US-20110028482-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-03 — — US disclosed
US-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-03 — — US disclosed
WO-2010135360-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2010-11-25 — — 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 (3 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-20110034437-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, HRH2 ALDH1A1 47/4885MAPT 3803/4885HPGD 204/4885
US-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, HRH2 ALDH1A1 47/4885MAPT 3803/4885HPGD 204/4885
US-20110028482-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, HRH2 ALDH1A1 47/4885MAPT 3803/4885HPGD 204/4885

“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.

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