SCHEMBL19795897

SCHEMBL19795897

CCN(/C=C(\C(C)=O)C(C)C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TSHR P16473 2/20 0.42
GLA P06280 1/20 0.42
PGR P06401 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
KCNH2 Q12809 1/20 0.38
TP53 P04637 3/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 1/20 0.35
NPC1 O15118 2/20 0.34
MTNR1A P48039 1/20 0.34

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
SCHEMBL19803735 0.82 MLYCD (0.41) ALDH1A1TSHRGLAPGRADRA2A
SCHEMBL19795961 0.76 ALDH1A1 (0.43) ALDH1A1TSHRGLAPGRADRA2A
SCHEMBL8032579 0.76 ALDH1A1 (0.44) ALDH1A1TSHRGLAADRA2AKCNH2
SCHEMBL10375754 0.75 ALDH1A1 (0.48) ALDH1A1TSHRGLAPGRADRA2A
SCHEMBL19041147 0.75 MLYCD (0.36) ALDH1A1TSHRGLAPGRADRA2A
SCHEMBL19795949 0.72 KMT2A (0.41) ALDH1A1TSHRGLALMNASMN1; SMN2
SCHEMBL19041143 0.71 ALDH1A1 (0.41) ALDH1A1TSHRGLATP53SMN1; SMN2
SCHEMBL11688818 0.71 MEN1 (0.47) ALDH1A1TSHRGLALMNASMN1; SMN2
SCHEMBL19795950 0.71 KMT2A (0.43) ALDH1A1TSHRGLASMN1; SMN2MEN1
SCHEMBL19795926 0.71 MAPT (0.42) ALDH1A1TSHRGLAKCNH2TP53

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-20180022693-A1 COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2018-01-25 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-20180022693-A1 COMPOUNDS ERCC4, NQO1, ERCC5 ALDH1A1 981/4885TSHR 3898/4885GLA 2077/4885

“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.