SCHEMBL10045231

SCHEMBL10045231

FC(F)(F)CNCCCNCCCCCNCCCNCC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 5/20 0.43
CA5B Q9Y2D0 5/20 0.43
CA3 P07451 4/20 0.43
CA12 O43570 4/20 0.43
CA2 P00918 4/20 0.43
CA4 P22748 4/20 0.43
CA6 P23280 4/20 0.43
CA7 P43166 4/20 0.43
CA9 Q16790 4/20 0.43
CA14 Q9ULX7 4/20 0.43
CYP2C19 P33261 3/20 0.39
CYP1A2 P05177 3/20 0.39
HDAC6 Q9UBN7 1/20 0.36
PKM P14618 2/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TSHR P16473 2/20 0.35
F13A1 P00488 2/20 0.35
ALOX15 P16050 2/20 0.35
THPO P40225 2/20 0.35

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
SCHEMBL14064945 0.97 CA5A (0.44) CA5ACA5BCA3CA12CA2
SCHEMBL16181797 0.82 TSHR (0.55) TSHRALDH1A1
SCHEMBL10688479 0.82 TSHR (0.55) TSHRALDH1A1
SCHEMBL10687034 0.82 TSHR (0.55) TSHRALDH1A1
SCHEMBL10687887 0.82 TSHR (0.55) TSHRALDH1A1
SCHEMBL10686612 0.82 TSHR (0.55) TSHRALDH1A1
SCHEMBL10686025 0.82 TSHR (0.55) TSHRALDH1A1
SCHEMBL11324424 0.79 TSHR (0.57) CYP2C19CYP1A2TSHRALDH1A1SMN1; SMN2
SCHEMBL10045102 0.79 CYP2C19 (0.33) CA5ACA5BCA3CA12CA2
SCHEMBL6811425 0.78 PKM (0.31) CA5ACA5BCA3CA12CA2

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
US-8148577-B2 Polyamines useful as anti-parasitic and anti-cancer therapeutics and as lysine-specific demethylase inhibitors THE JOHNS HOPKINS UNIVERSITY (US) 2012-04-03 US disclosed
US-20100273745-A1 POLYAMINES USEFUL AS ANTI-PARASITIC AND ANTI-CANCER THERAPEUTICS AND AS LYSINE-SPECIFIC DEMETHYLASE INHIBITORS THE JOHNS HOPKINS UNIVERSITY (US) 2010-10-28 US disclosed
US-20070208082-A1 POLYAMINES USEFUL AS ANTI-PARASITIC AND ANTI-CANCER THERAPEUTICS AND AS LYSINE-SPECIFIC DEMETHYLASE INHIBITORS JOHN HOPKINS UNIVERSITY (US) 2007-09-06 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-20070208082-A1 POLYAMINES USEFUL AS ANTI-PARASITIC AND ANTI-CANCER THERAPEUTICS AND AS LYSINE-SPECIFIC DEMETHYLASE INHIBITORS KDM1A, JMJD6, SRM CA5A 1951/4885CA5B 2749/4885CA3 3909/4885
US-20100273745-A1 POLYAMINES USEFUL AS ANTI-PARASITIC AND ANTI-CANCER THERAPEUTICS AND AS LYSINE-SPECIFIC DEMETHYLASE INHIBITORS KDM1A, JMJD6, SRM CA5A 1951/4885CA5B 2749/4885CA3 3909/4885

“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.