SCHEMBL2998426

SCHEMBL2998426

CC(C)C(C)(c1ccc(C#N)cc1)c1ccc(C(O)Cc2ccccn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.38
▸ PTPRA P18433 1/20 0.36
▸ F2R P25116 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ GRIN2D O15399 1/20 0.35
▸ GRIN3B O60391 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2A Q12879 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ GRIN2C Q14957 1/20 0.35
▸ GRIN3A Q8TCU5 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ FDPS P14324 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ TAS1R3 Q7RTX0 1/20 0.33

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
SCHEMBL13248557 0.82 PTPRA (0.36) ALOX5APPTPRAKDM4ECYP1A2GRIN2D
SCHEMBL13248358 0.80 ALOX5AP (0.53) ALOX5APKDM4ECYP1A2ALDH1A1SMN1; SMN2
SCHEMBL3000851 0.79 RAB9A (0.50) ALOX5APKDM4ECYP1A2NPC1TRPM8
SCHEMBL2991258 0.77 LMNA (0.43) ALOX5APPTPRACYP1A2NPC1HTT
SCHEMBL13268073 0.74 CYP17A1 (0.45) ALOX5APKDM4ECYP1A2HTTMEN1
SCHEMBL5949466 0.73 HSD11B1 (0.47) PTPRAKDM4EGRIN2DGRIN3BGRIN1
SCHEMBL2998064 0.73 GRM5 (0.42) —
SCHEMBL30468703 0.72 KIF11 (0.55) ALDH1A1MEN1KMT2A
SCHEMBL707618 0.72 ALOX5AP (0.62) ALOX5APKDM4ECYP1A2ALDH1A1SMN1; SMN2
SCHEMBL29067185 0.71 GRIN2D (0.42) PTPRAGRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2546232-A1 Diphenyl Substituted Alkanes Merck Sharp & Dohme Corp. (US) 2013-01-16 — — EP disclosed
EP-2546232-A1 Diphenyl Substituted Alkanes Merck Sharp & Dohme Corp. (US) 2013-01-16 — — EP disclosed
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 — — US disclosed
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 — — US disclosed
EP-2170065-A1 DIPHENYL SUBSTITUTED ALKANES Merck Sharp & Dohme Corp. (US) 2010-04-07 — — EP disclosed
WO-2008156721-A1 DIPHENYL SUBSTITUTED ALKANES MERCK & CO., INC. (US) 2008-12-24 — — WO disclosed
WO-2008156721-A1 DIPHENYL SUBSTITUTED ALKANES MERCK & CO., INC. (US) 2008-12-24 — — 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-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B ALOX5AP 15/4885PTPRA 3902/4885F2R 35/4885

“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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