SCHEMBL19796022

SCHEMBL19796022

CC(=O)/C(=C\C1CCCc2ccccc21)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 2/20 0.41
DHODH Q02127 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CAMK2A Q9UQM7 1/20 0.41
XBP1 P17861 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 0.40
TAS1R2 Q8TE23 1/20 0.40

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
SCHEMBL3365329 0.82 HTT (0.46) HTTALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL3365324 0.82 HTT (0.46) HTTALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL3365331 0.82 HTT (0.46) HTTALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL18373760 0.74 CES2 (0.47) HTTALDH1A1LMNAKMT2AMEN1
SCHEMBL6689522 0.73 KDM4E (0.46) HTTALDH1A1LMNAKMT2AMEN1
SCHEMBL6689526 0.73 KDM4E (0.46) HTTALDH1A1LMNAKMT2AMEN1
SCHEMBL6689518 0.73 KDM4E (0.46) HTTALDH1A1LMNAKMT2AMEN1
SCHEMBL3929731 0.71 MAPK1 (0.43) HTTALDH1A1KMT2ASMN1; SMN2RAB9A
SCHEMBL3929729 0.71 MAPK1 (0.43) HTTALDH1A1KMT2ASMN1; SMN2RAB9A
SCHEMBL782544 0.71 IDO1 (0.49) HTTALDH1A1LMNAKMT2ASMN1; SMN2

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 HTT 3217/4885ALDH1A1 981/4885LMNA 2017/4885

“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.