SCHEMBL6546705

SCHEMBL6546705

CCCCN(CCCCN)C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA9 Q16790 2/20 0.47
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
MMP8 P22894 1/20 0.44
DNM1 Q05193 8/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.42
EPHX1 P07099 1/20 0.42
PAOX Q6QHF9 2/20 0.40
CHRM2 P08172 1/20 0.38
ALDH2 P05091 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
SCHEMBL8381768 0.90 PAOX (0.43) CA12CA1CA9DNM1ALDH1A1
SCHEMBL27973296 0.90 DNM1 (0.46) CA12CA1CA9DNM1ALDH1A1
SCHEMBL11816234 0.89 CA12 (0.48) CA12CA1CA9MMP1MMP2
SCHEMBL6943345 0.89 PAOX (0.44) ALDH1A1MEN1KMT2APAOXCHRM2
SCHEMBL29730915 0.87 PAOX (0.41) CA12CA1CA9KMT2ATSHR
SCHEMBL13055373 0.87 CA12 (0.54) CA12CA1CA9MMP1MMP2
SCHEMBL497913 0.87 CA12 (0.58) CA12CA1CA9MMP1MMP2
SCHEMBL27973460 0.86 CA12 (0.44) CA12CA1CA9MMP1MMP2
SCHEMBL13737325 0.85 PAOX (0.41) CA12CA1CA9DNM1MEN1
SCHEMBL12901296 0.85 PAOX (0.39) CA12CA1CA9KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379238-A1 FAVORABLE MODULATION OF HEALTH-RELATED QUALITY OF LIFE AND HEALTH-RELATED QUALITY-ADJUSTED TIME-TO-PROGRESSION OF DISEASE IN PATIENTS WITH PROSTATE CANCER Abbott Laboratories (US) 2004-01-14 EP disclosed
US-20030092757-A1 Favorable modulation of health-related quality of life and health-related quality-adjusted time-to-progression of disease in patients with prostate cancer ABBOTT LABORATORIES 2003-05-15 US disclosed
WO-2002085351-A1 FAVORABLE MODULATION OF HEALTH-RELATED QUALITY OF LIFE AND HEALTH-RELATED QUALITY-ADJUSTED TIME-TO-PROGRESSION OF DISEASE IN PATIENTS WITH PROSTATE CANCER ABBOTT LABORATORIES (US) 2002-10-31 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-20030092757-A1 Favorable modulation of health-related quality of life and health-related quality-adjusted time-to-progression of disease in patients with prostate cancer KLK3, ACP3, BPHL CA12 2629/4885CA1 4501/4885CA9 2984/4885

“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.