SCHEMBL15947788

SCHEMBL15947788

CCCCCCCCOCC1CC2C=CC1C2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 2/20 0.41
SLC18A2 Q05940 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
CES2 O00748 1/20 0.33
GBA1 P04062 1/20 0.33
GBA2 Q9HCG7 1/20 0.32

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
SCHEMBL3891366 1.00 ALDH1A1 (0.45) ALDH1A1TDP1KDM4ESLC18A2SMN1; SMN2
SCHEMBL11527033 1.00 ALDH1A1 (0.45) ALDH1A1TDP1KDM4ESLC18A2SMN1; SMN2
SCHEMBL3900802 0.93 KDM4E (0.42) ALDH1A1TDP1KDM4ESLC18A2SMN1; SMN2
SCHEMBL19689466 0.92 KDM4E (0.39) ALDH1A1TDP1KDM4EMEN1HTT
SCHEMBL19689444 0.92 KDM4E (0.39) ALDH1A1TDP1KDM4EMEN1HTT
SCHEMBL19708381 0.92 KDM4E (0.39) ALDH1A1TDP1KDM4EMEN1HTT
SCHEMBL415516 0.90 KDM4E (0.40) ALDH1A1TDP1KDM4EMEN1HTT
SCHEMBL8402102 0.86 KDM4E (0.45) ALDH1A1KDM4EMEN1HTTKMT2A
SCHEMBL415515 0.86 KDM4E (0.40) ALDH1A1TDP1KDM4EMEN1HTT
SCHEMBL13888541 0.84 KDM4E (0.34) ALDH1A1KDM4E

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-20140227212-A1 POLYMERIZED SUNSCREEN ABSORBERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-08-14 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-20140227212-A1 POLYMERIZED SUNSCREEN ABSORBERS PCNA, MCM3, SYMPK ALDH1A1 2364/4885TDP1 2017/4885KDM4E 4199/4885

“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.