SCHEMBL2238734

SCHEMBL2238734

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
ALDH1A1 P00352 1/20 0.52
AKR1C3 P42330 1/20 0.47
LMNA P02545 1/20 0.45
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
FBP1 P09467 1/20 0.43
GRIK1 P39086 1/20 0.43
GRIK2 Q13002 1/20 0.43
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39

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
SCHEMBL2238736 1.00 TSHR (0.52) TSHRALDH1A1AKR1C3LMNARECQL
SCHEMBL2243080 0.83 CYP2A6 (0.43) LMNAFBP1KMT2AHPGD
SCHEMBL2240794 0.83 CYP2A6 (0.43) LMNAFBP1KMT2AHPGD
SCHEMBL2240798 0.83 CYP2A6 (0.43) LMNAFBP1KMT2AHPGD
SCHEMBL3274821 0.82 RECQL (0.55) TSHRALDH1A1AKR1C3RECQLTDP1
SCHEMBL3360462 0.82 RECQL (0.55) TSHRALDH1A1AKR1C3RECQLTDP1
SCHEMBL31380622 0.81 TP53 (0.42) ALDH1A1LMNATDP1FBP1SMN1; SMN2
SCHEMBL31380604 0.81 TP53 (0.42) ALDH1A1LMNATDP1FBP1SMN1; SMN2
SCHEMBL2246921 0.81 TP53 (0.42) ALDH1A1LMNATDP1FBP1SMN1; SMN2
SCHEMBL2246918 0.81 TP53 (0.42) ALDH1A1LMNATDP1FBP1SMN1; 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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140314699-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH SA (CH) 2014-10-23 US claimed
EP-2352809-B1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH & CIE (CH) 2012-09-19 EP claimed
US-20110200546-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH SA (CH) 2011-08-18 US claimed
EP-2352809-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE Firmenich S.A. (CH) 2011-08-10 EP claimed
WO-2010052635-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH SA (CH) 2010-05-14 WO claimed
US-9487734-B2 Perfuming ingredients of the floral and/or anis type FIRMENICH SA (CH) 2016-11-08 US disclosed
US-9487734-B2 Perfuming ingredients of the floral and/or anis type FIRMENICH SA (CH) 2016-11-08 US disclosed
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-20140314699-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH SA (CH) 2014-10-23 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
US-20110200546-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH SA (CH) 2011-08-18 US disclosed
US-20110200546-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH SA (CH) 2011-08-18 US disclosed
EP-2352809-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE Firmenich S.A. (CH) 2011-08-10 EP disclosed
WO-2010052635-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH SA (CH) 2010-05-14 WO disclosed
EP-0111105-B1 UNSATURATED AROMATIC AMIDES AS PESTICIDES THE WELLCOME FOUNDATION LIMITED (GB) 1990-12-05 EP disclosed
US-4931469-A APPLYING UNSATURATED PHENYL AMIDES; FOR ACARINA BURROUGHS WELLCOME CO. (US) 1990-06-05 US disclosed
US-4855086-A MITICIDES, INSECTICIDES BURROUGHS WELLCOME CO. (US) 1989-08-08 US disclosed
EP-0111105-A2 Unsaturated aromatic amides as pesticides THE WELLCOME FOUNDATION LIMITED (GB) 1984-06-20 EP 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-20110200546-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE COXFA4, CCR4, AFF4 TSHR 4775/4885ALDH1A1 2411/4885AKR1C3 79/4885
US-20140314699-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE COXFA4, CCR4, AFF4 TSHR 4775/4885ALDH1A1 2411/4885AKR1C3 79/4885

“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.