SCHEMBL16065784

SCHEMBL16065784

O=C(/C=C/c1cccs1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.53
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD11B1 P28845 4/20 0.47
ABCG2 Q9UNQ0 2/20 0.46
CYP3A4 P08684 1/20 0.45
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL6092588 1.00 HCAR2 (0.53) HCAR2ALDH1A1SMN1; SMN2HSD11B1ABCG2
SCHEMBL17448532 0.79 HCAR2 (0.46) HCAR2ALDH1A1SMN1; SMN2ABCG2LMNA
SCHEMBL5246063 0.76 HCAR2 (0.69) HCAR2ALDH1A1SMN1; SMN2ABCG2LMNA
SCHEMBL3382206 0.76 HCAR2 (0.69) HCAR2ALDH1A1SMN1; SMN2ABCG2LMNA
SCHEMBL16052932 0.75 MEN1 (0.38) ALDH1A1SMN1; SMN2HSD11B1LMNAMAPT
SCHEMBL16052931 0.75 MEN1 (0.38) ALDH1A1SMN1; SMN2HSD11B1LMNAMAPT
SCHEMBL6091145 0.75 GABBR2 (0.53) HCAR2ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL12040547 0.75 GABBR2 (0.53) HCAR2ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL3431569 0.73 HSD11B1 (0.45) ALDH1A1SMN1; SMN2HSD11B1LMNAMAPT
SCHEMBL8068014 0.73 JUN (0.51) ALDH1A1SMN1; SMN2HSD11B1LMNAMAPT

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-20160016860-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS DUBLIN CITY UNIVERSITY (IE) 2016-01-21 US disclosed
US-20160016860-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS DUBLIN CITY UNIVERSITY (IE) 2016-01-21 US disclosed
WO-2014140353-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS DUBLIN CITY UNIVERSITY (IE) 2014-09-18 WO 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-20160016860-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS DCXR, TECR, PWWP2B HCAR2 3518/4885ALDH1A1 4341/4885SMN1; SMN2 1149/4885

“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.