SCHEMBL13248557

SCHEMBL13248557

[C-]#[N+]c1ccc(C(C)(c2ccc(C(O)Cc3ccccn3)cc2)C(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPRA P18433 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALOX5AP P20292 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 3/20 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
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33
▸ ALDH1A1 P00352 6/20 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
SCHEMBL2998426 0.82 ALOX5AP (0.38) PTPRAKDM4EALOX5APCYP1A2GRIN2D
SCHEMBL13248549 0.79 RAB9A (0.50) KDM4EALOX5APCYP1A2NPC1TAS1R3
SCHEMBL2991258 0.75 LMNA (0.43) PTPRAALOX5APCYP1A2NPC1ALDH1A1
SCHEMBL5949466 0.73 HSD11B1 (0.47) PTPRAKDM4EGRIN2DGRIN3BGRIN1
SCHEMBL9924108 0.72 ALOX5AP (0.59) KDM4EALOX5APCYP1A2NPC1ALDH1A1
SCHEMBL22728750 0.71 KDM4E (0.63) PTPRAKDM4EGRIN2DGRIN3BGRIN1
SCHEMBL9491676 0.71 KDM4E (0.63) PTPRAKDM4EGRIN2DGRIN3BGRIN1
SCHEMBL13248550 0.71 FFAR1 (0.38) —
SCHEMBL5949323 0.69 IGF1R (0.50) PTPRAKDM4EGRIN2DGRIN3BGRIN1
SCHEMBL5948990 0.69 IGF1R (0.50) PTPRAKDM4EGRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 — — 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 (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 PTPRA 3902/4885KDM4E 2671/4885ALOX5AP 15/4885

“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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