SCHEMBL15775458

SCHEMBL15775458

C=CCC#CCCOC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
PGR P06401 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
HTR1A P08908 1/20 0.36
CHRNB2 P17787 1/20 0.36
TBXA2R P21731 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRNA10 Q9GZZ6 1/20 0.36
CHRNA9 Q9UGM1 1/20 0.36
TSHR P16473 1/20 0.36
GALR3 O60755 2/20 0.35
GAA P10253 1/20 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
SCHEMBL28411257 0.84 TSHR (0.30) ALDH1A1TSHRHSD17B10CYP3A4
SCHEMBL12445284 0.83 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2CHRM5CHRM1CHRM3
SCHEMBL16244618 0.81 CHRM2 (0.35) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL9067562 0.81 ATM (0.39) ALDH1A1TSHRRAB9AHSD17B10CYP3A4
SCHEMBL28411259 0.79
SCHEMBL27943807 0.77
SCHEMBL10630370 0.75 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2CHRM5CHRM1CHRM3
SCHEMBL10901295 0.75 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2CHRM5CHRM1CHRM3
SCHEMBL12445286 0.75 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2CHRM5CHRM1CHRM3
SCHEMBL965754 0.75

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10023514-B2 Odorants of the violet type FIRMENICH SA (CH) 2018-07-17 US disclosed
US-10023514-B2 Odorants of the violet type FIRMENICH SA (CH) 2018-07-17 US disclosed
US-10023514-B2 Odorants of the violet type FIRMENICH SA (CH) 2018-07-17 US disclosed
EP-2928995-B1 ODORANTS OF THE VIOLET TYPE FIRMENICH & CIE (CH) 2016-08-24 EP disclosed
EP-2928995-B1 ODORANTS OF THE VIOLET TYPE FIRMENICH & CIE (CH) 2016-08-24 EP disclosed
US-20150315516-A1 ODORANTS OF THE VIOLET TYPE FIRMENICH SA (CH) 2015-11-05 US disclosed
US-20150315516-A1 ODORANTS OF THE VIOLET TYPE FIRMENICH SA (CH) 2015-11-05 US disclosed
US-20150315516-A1 ODORANTS OF THE VIOLET TYPE FIRMENICH SA (CH) 2015-11-05 US disclosed
EP-2928995-A1 ODORANTS OF THE VIOLET TYPE Firmenich SA (CH) 2015-10-14 EP disclosed
WO-2014086608-A1 ODORANTS OF THE VIOLET TYPE FIRMENICH SA (CH) 2014-06-12 WO disclosed
WO-2014086608-A1 ODORANTS OF THE VIOLET TYPE FIRMENICH SA (CH) 2014-06-12 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 (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-10023514-B2 Odorants of the violet type CBR3, C5, C1S ALDH1A1 84/4885SMN1; SMN2 4854/4885CHRM5 118/4885
US-20150315516-A1 ODORANTS OF THE VIOLET TYPE CBR3, C5, C1S ALDH1A1 84/4885SMN1; SMN2 4854/4885CHRM5 118/4885

“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.