SCHEMBL9070698

SCHEMBL9070698

CCOC(=O)C(C)(C)C(C)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.43
▸ CYP1A2 P05177 3/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ FBP1 P09467 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CASP3 P42574 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL15419570 0.84 PIN1 (0.49) MAPTCYP1A2NPSR1LMNACYP2C9
SCHEMBL29570745 0.80 MAPT (0.45) MAPTCYP1A2NPSR1MEN1KMT2A
SCHEMBL29570205 0.78 MAPT (0.46) MAPTCYP1A2NPSR1MEN1KMT2A
SCHEMBL2314909 0.76 KLK7 (0.49) MAPTCYP1A2NPSR1MEN1KMT2A
SCHEMBL11857185 0.75 MAPT (0.47) MAPTCYP1A2NPSR1MEN1KMT2A
SCHEMBL23377841 0.74 MAPT (0.45) MAPTCYP1A2NPSR1MEN1KMT2A
SCHEMBL23377838 0.74 MAPT (0.45) MAPTCYP1A2NPSR1MEN1KMT2A
SCHEMBL14874445 0.74 KMT2A (0.44) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL1626657 0.73 CNR2 (0.48) MAPTCYP1A2NPSR1MEN1KMT2A
SCHEMBL6977075 0.73 CHRM2 (0.48) MAPTCYP1A2NPSR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188090-B2 Naphthylacetic acids HOFFMAN-LA ROCHE INC. (US) 2012-05-29 — — US disclosed
US-8124629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 — — US disclosed
US-20100137250-A1 NAPHTHYLACETIC ACIDS FIROOZNIA FARIBORZ 2010-06-03 — — US disclosed
US-20100125061-A1 NAPHTHYLACETIC ACIDS FIROOZNIA FARIBORZ 2010-05-20 — — US disclosed
US-20100125058-A1 NAPHTHYLACETIC ACIDS CHEN LI 2010-05-20 — — US disclosed
WO-2010055004-A1 NAPHTHYLACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 — — WO disclosed
WO-2010055006-A1 NAPHTHYLACETIC ACIDS USED AS CRTH2 ANTAGONISTS OR PARTIAL AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 — — WO disclosed
WO-2010055005-A1 NAPHTHYLACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 — — 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-20100125058-A1 NAPHTHYLACETIC ACIDS HRH2, HRH1, HRH3 MAPT 4671/4885CYP1A2 284/4885NPSR1 36/4885
US-20100137250-A1 NAPHTHYLACETIC ACIDS HRH2, HRH1, HRH3 MAPT 4559/4885CYP1A2 215/4885NPSR1 43/4885
US-20100125061-A1 NAPHTHYLACETIC ACIDS HRH2, HRH1, HRH3 MAPT 4646/4885CYP1A2 221/4885NPSR1 43/4885

“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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