SCHEMBL6852534

SCHEMBL6852534

COC(=O)C(C)/C=C/C(C)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
CA14 Q9ULX7 4/20 0.42
CA12 O43570 3/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
TSHR P16473 2/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MME P08473 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL6648517 1.00 SMN1; SMN2 (0.46) SMN1; SMN2CA14CA12KMT2AMEN1
SCHEMBL10062281 0.92 SMN1; SMN2 (0.41) SMN1; SMN2CA14CA12KMT2AMEN1
SCHEMBL10709374 0.87
SCHEMBL10709369 0.87
SCHEMBL10347908 0.83 HCAR2 (0.52) SMN1; SMN2CA14CA12KMT2AMEN1
SCHEMBL19889470 0.83 SMN1; SMN2 (0.41) SMN1; SMN2CA14CA12KMT2AMEN1
SCHEMBL10347907 0.83 HCAR2 (0.52) SMN1; SMN2CA14CA12KMT2AMEN1
SCHEMBL20867335 0.82 CA1 (0.37) SMN1; SMN2CA14CA12KMT2AMEN1
SCHEMBL27563920 0.81 SMN1; SMN2 (0.37) SMN1; SMN2CA14CA12KMT2AMEN1
SCHEMBL10062286 0.81 TSHR (0.39) SMN1; SMN2CA14CA12KMT2AMEN1

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-10066188-B2 Aroma chemicals BASF SE (DE) 2018-09-04 US disclosed
EP-3145905-B1 PROCESS FOR THE DIMERIZATION OF ACTIVATED OLEFINS BASF SE (DE) 2018-07-11 EP disclosed
EP-3110931-B1 NOVEL AROMA CHEMICALS BASF SE (DE) 2018-04-18 EP disclosed
US-9796654-B2 Process for the dimerization of activated olefins BASF SE (DE) 2017-10-24 US disclosed
US-20170107168-A1 PROCESS FOR THE DIMERIZATION OF ACTIVATED OLEFINS BASF SE (DE) 2017-04-20 US disclosed
EP-3145905-A1 PROCESS FOR THE DIMERIZATION OF ACTIVATED OLEFINS BASF SE (DE) 2017-03-29 EP disclosed
EP-3110931-A1 NOVEL AROMA CHEMICALS BASF SE (DE) 2017-01-04 EP disclosed
US-20160312149-A1 NOVEL AROMA CHEMICALS BASF SE (DE) 2016-10-27 US disclosed
WO-2015177141-A1 PROCESS FOR THE DIMERIZATION OF ACTIVATED OLEFINS BASF SE (DE) 2015-11-26 WO disclosed
WO-2015091924-A1 NOVEL AROMA CHEMICALS BASF SE (DE) 2015-06-25 WO disclosed
US-6828464-B2 Preparation of cyclopentenones BASF AKTIENGESELLSCHAFT (DE) 2004-12-07 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 (3 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-20160312149-A1 NOVEL AROMA CHEMICALS SRD5A1, SRD5A2, SCD5 SMN1; SMN2 3423/4885CA14 1157/4885CA12 1104/4885
US-20170107168-A1 PROCESS FOR THE DIMERIZATION OF ACTIVATED OLEFINS AOC2, CYP1A2, OXER1 SMN1; SMN2 4683/4885CA14 3299/4885CA12 1023/4885
US-10066188-B2 Aroma chemicals SRD5A2, SRD5A1, SCD5 SMN1; SMN2 3357/4885CA14 1314/4885CA12 1083/4885

“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.