SCHEMBL4666069

SCHEMBL4666069

NC(=O)c1[nH]c2ccccc2c1C[CH]CCO

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 1/20 0.48
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
FOLH1 Q04609 1/20 0.43
EGFR P00533 2/20 0.42
SRC P12931 1/20 0.42
HTR6 P50406 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.39
GAA P10253 2/20 0.39
ATM Q13315 1/20 0.39
MCL1 Q07820 1/20 0.39
MAPT P10636 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
HPGD P15428 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
SCHEMBL4033965 0.89 MAP2 (0.50) MAP2ALDH1A1KDM4EFOLH1EGFR
SCHEMBL631701 0.82 MAP2 (0.53) MAP2ALDH1A1KDM4EFOLH1EGFR
SCHEMBL2983431 0.81 MAP2 (0.51) MAP2ALDH1A1KDM4EFOLH1EGFR
SCHEMBL4042667 0.81 MAP2 (0.46) MAP2ALDH1A1KDM4EFOLH1EGFR
SCHEMBL3583092 0.78 MAP2 (0.48) MAP2ALDH1A1KDM4EFOLH1EGFR
SCHEMBL5279031 0.77 MAP2 (0.57) MAP2ALDH1A1KDM4EFOLH1EGFR
SCHEMBL28746390 0.76 MCL1 (0.57) MAP2ALDH1A1KDM4EFOLH1EGFR
SCHEMBL4262908 0.75 KDM4E (0.62) MAP2ALDH1A1KDM4EFOLH1EGFR
SCHEMBL5495499 0.75 HTR6 (0.66) MAP2ALDH1A1KDM4EFOLH1EGFR
SCHEMBL7745979 0.74 KDM4E (0.57) MAP2ALDH1A1KDM4EFOLH1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287493-A1 ARYLMETHYLEN SUBSTITUTED N-ACYL-Y-AMINOALCOHOLS BAYER SCHERING PHARMA AG (DE) 2008-11-20 US claimed
EP-1985612-A1 Arymethylen substituted N-Acyl-gamma-aminoalcohols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-10-29 EP claimed
US-20080287493-A1 ARYLMETHYLEN SUBSTITUTED N-ACYL-Y-AMINOALCOHOLS BAYER SCHERING PHARMA AG (DE) 2008-11-20 US disclosed
WO-2008131972-A1 ARYLMETHYLEN SUBSTITUTED N-ACYL-GAMMA-AMINOALCOHOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO disclosed
EP-1985612-A1 Arymethylen substituted N-Acyl-gamma-aminoalcohols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-10-29 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-20080287493-A1 ARYLMETHYLEN SUBSTITUTED N-ACYL-Y-AMINOALCOHOLS FSHR, CYP19A1, GNRHR MAP2 2740/4885ALDH1A1 1026/4885KDM4E 190/4885

“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.