SCHEMBL3360462

SCHEMBL3360462

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

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.55
AKR1C3 P42330 1/20 0.53
ALDH1A1 P00352 2/20 0.52
TSHR P16473 1/20 0.48
GRIK1 P39086 1/20 0.47
GRIK2 Q13002 1/20 0.47
S1PR1 P21453 2/20 0.46
S1PR3 Q99500 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NR4A2 P43354 1/20 0.45
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
HTT P42858 1/20 0.44
FBP1 P09467 1/20 0.44
GLA P06280 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL3274821 1.00 RECQL (0.55) RECQLAKR1C3ALDH1A1TSHRGRIK1
SCHEMBL6969168 0.85 RECQL (0.45) RECQLAKR1C3ALDH1A1
SCHEMBL28997303 0.85 AKR1C3 (0.50) RECQLAKR1C3ALDH1A1TSHRGRIK1
SCHEMBL3360105 0.85 KMT2A (0.57) RECQLAKR1C3S1PR1S1PR3MEN1
SCHEMBL3360111 0.85 KMT2A (0.57) RECQLAKR1C3S1PR1S1PR3MEN1
SCHEMBL2238736 0.82 TSHR (0.52) RECQLAKR1C3ALDH1A1TSHRGRIK1
SCHEMBL2238734 0.82 TSHR (0.52) RECQLAKR1C3ALDH1A1TSHRGRIK1
SCHEMBL1789290 0.82 AKR1C3 (0.52) RECQLAKR1C3ALDH1A1TSHRGRIK1
SCHEMBL2239635 0.82 RECQL (0.49) RECQLAKR1C3ALDH1A1TSHRGRIK1
SCHEMBL2910666 0.82 RECQL (0.67) RECQLAKR1C3ALDH1A1TSHRGRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2352809-B1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH & CIE (CH) 2012-09-19 EP claimed
US-9487734-B2 Perfuming ingredients of the floral and/or anis type FIRMENICH SA (CH) 2016-11-08 US disclosed
US-20140314699-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH SA (CH) 2014-10-23 US disclosed
US-8815792-B2 Perfuming ingredients of the floral and/or anis type FIRMENICH SA (CH) 2014-08-26 US disclosed
EP-2352809-B1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH & CIE (CH) 2012-09-19 EP disclosed
WO-2010052635-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH SA (CH) 2010-05-14 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-20140314699-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE COXFA4, CCR4, AFF4 RECQL 3596/4885AKR1C3 79/4885ALDH1A1 2411/4885

“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.