SCHEMBL925233

SCHEMBL925233

O=C(OC1CCCC1)c1ccc(=O)n(C2CCCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 3/20 0.43
MMP12 P39900 3/20 0.43
MMP1 P03956 2/20 0.43
JMJD6 Q6NYC1 1/20 0.41
MMP2 P08253 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
ADRA1A P35348 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTR3A P46098 3/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
CHRNA7 P36544 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
APLNR P35414 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL25078142 0.84 ALDH1A1 (0.47) ALDH1A1HRH3KMT2AAPLNRTDP1
SCHEMBL925299 0.80 SMN1; SMN2 (0.44) ALDH1A1KMT2ATDP1CNR1CNR2
SCHEMBL21384106 0.78 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL21383995 0.73 SMN1; SMN2 (0.39) ALDH1A1KMT2ATDP1CNR1CNR2
SCHEMBL25077956 0.72 ALDH1A1 (0.39) ALDH1A1KMT2AAPLNRTDP1
SCHEMBL25078627 0.72 PLAT (0.49) ALDH1A1HRH3MEN1KMT2AAPLNR
SCHEMBL25078297 0.70 BACE1 (0.41) ALDH1A1KMT2ATDP1
SCHEMBL21383992 0.69 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL5592983 0.69 JMJD6 (0.43) MMP9MMP12MMP1JMJD6MMP2
SCHEMBL14074045 0.68 DPP4 (0.48) ALDH1A1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163766-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2012-04-24 US disclosed
US-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-19 US disclosed
US-7872009-B2 Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-01-18 US disclosed
US-20070185103-A1 Beta-secretase modulators and methods of use AMGEN INC. 2007-08-09 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 (2 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-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP MMP9 246/4885MMP12 446/4885MMP1 1135/4885
US-20070185103-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP MMP9 246/4885MMP12 446/4885MMP1 1135/4885

“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.