SCHEMBL17016643

SCHEMBL17016643

COc1ccc2c(c1)C1(CC(=O)c3ccc(C)cc31)CC2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
MAOB P27338 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
METAP1 P53582 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
PGR P06401 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
GAA P10253 1/20 0.40
TP53 P04637 1/20 0.40
ALKBH3 Q96Q83 1/20 0.40

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
SCHEMBL16253974 0.92 METAP1 (0.47) MEN1KMT2AALDH1A1KDM4EMAOB
SCHEMBL17016644 0.80 KDM4E (0.36) ALDH1A1KDM4EMAOBCA1CA2
SCHEMBL388758 0.78 PGR (0.53) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL19054676 0.75 ALDH1A1 (0.43) MEN1KMT2AALDH1A1KDM4EMAOB
SCHEMBL12723065 0.74 ACHE (0.45) MEN1KMT2AALDH1A1KDM4EMAOB
SCHEMBL11822087 0.72 PDE3B (0.43) ALDH1A1KDM4EMAOBSMN1; SMN2METAP1
SCHEMBL2997926 0.72 ALKBH3 (0.58) ALDH1A1MAOBMETAP1CA1CA2
SCHEMBL3368868 0.72 PGR (0.69) MEN1KMT2AALDH1A1KDM4EMAOB
SCHEMBL15483667 0.71 METAP1 (0.63) MEN1KMT2AALDH1A1KDM4EMAOB
SCHEMBL29981141 0.70 DYRK1A (0.47) MEN1KMT2AALDH1A1KDM4ESMN1; 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9919304-B2 Sulfonyl-containing polymers based on free-radically polymerizable spirobisindane monomers 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-03-20 US disclosed
US-9919305-B2 Sulfonyl-containing polymeric material with rigid and contorted divinyl crosslinker 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-03-20 US disclosed
US-20170333870-A1 POLYMERIC MATERIALS FOR CAPTURING FORMALDEHYDE 3M INNOVATIVE PROPERTIES COMPANY 2017-11-23 US disclosed
US-20170182475-A1 SULFONIC ACID-CONTAINING POLYMERIC MATERIALS AS AMINE SORBENTS 3M INNOVATIVE PROPERTIES COMPANY 2017-06-29 US disclosed
US-9463454-B2 Amino-containing polymeric material with rigid and contorted divinyl crosslinker 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-10-11 US disclosed
US-20160121321-A1 AMINO-CONTAINING POLYMERIC MATERIAL WITH RIGID AND CONTORTED DIVINYL CROSSLINKER 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-05-05 US disclosed
US-20160089667-A1 SULFONYL-CONTAINING POLYMERS BASED ON FREE-RADICALLY POLYMERIZABLE SPIROBISINDANE MONOMERS 3M INNOVATIVE PROPERTIES COMPANY 2016-03-31 US disclosed
US-9296668-B2 Polymerizable spirobisindane monomers and polymers prepared therefrom 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-03-29 US disclosed
US-20160082429-A1 SULFONYL-CONTAINING POLYMERIC MATERIAL WITH RIGID AND CONTORTED DIVINYL CROSSLINKER 3M INNOVATIVE PROPERTIES COMPANY 2016-03-24 US disclosed
US-9139674-B2 Rigid and contorted divinyl crosslinkers 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-09-22 US disclosed
US-20150239806-A1 POLYMERIZABLE SPIROBISINDANE MONOMERS AND POLYMERS PREPARED THEREFROM 3M INNOVATIVE PROPERTIES COMPANY 2015-08-27 US disclosed
US-20150232592-A1 RIGID AND CONTORTED DIVINYL CROSSLINKERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-08-20 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 (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-20150239806-A1 POLYMERIZABLE SPIROBISINDANE MONOMERS AND POLYMERS PREPARED THEREFROM WEE1, PKD1, WEE2 MEN1 2350/4885KMT2A 3729/4885ALDH1A1 792/4885

“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.