SCHEMBL14136387

SCHEMBL14136387

CCCCCCNC(C)CCO

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.42
NAAA Q02083 1/20 0.41
EPHX1 P07099 6/20 0.40
KDM4E B2RXH2 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
OPRM1 P35372 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
SCHEMBL5927856 0.91 ALDH1A1 (0.38) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL10496376 0.90 LMNA (0.46) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL1619512 0.88 LMNA (0.50) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL1619826 0.86 LMNA (0.46) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL1619443 0.86 SMN1; SMN2 (0.48) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL25100338 0.85 EPHX1 (0.44) ALDH1A1MEN1KMT2ATSHREPHX1
SCHEMBL9205455 0.85 ADH1B (0.47) ALDH1A1TSHREPHX1ADH1BADH1C
SCHEMBL5011942 0.85 ADH1B (0.52) LMNAALDH1A1TSHREPHX1TP53
SCHEMBL13762880 0.85 ADH1B (0.52) LMNAALDH1A1TSHREPHX1TP53
SCHEMBL8262455 0.85 ADH1B (0.47) ALDH1A1TSHREPHX1ADH1BADH1C

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-20080194697-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES CELLGATE, INC. 2008-08-14 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-20080194697-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES CTSB, KLK3, FOLH1 LMNA 1929/4885ALDH1A1 1045/4885HSD17B10 2256/4885

“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.