SCHEMBL17616840

SCHEMBL17616840

O=C(OCC1CC=CCC1)C1CCC(C(=O)OCC2CC=CCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.39
▸ KDM4E B2RXH2 8/20 0.38
▸ ALDH1A1 P00352 7/20 0.38
▸ PKM P14618 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CDK1 P06493 2/20 0.36
▸ CCNB1 P14635 2/20 0.36
▸ CCNA2 P20248 2/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ CCNA1 P78396 2/20 0.36
▸ TDP1 Q9NUW8 3/20 0.35
▸ SCN9A Q15858 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL11338767 0.93 KDM4E (0.40) MAPK1KDM4EALDH1A1PKMSMN1; SMN2
SCHEMBL472150 0.92 KDM4E (0.42) MAPK1KDM4EALDH1A1PKMSMN1; SMN2
SCHEMBL472104 0.91 MIF (0.40) MAPK1KDM4EALDH1A1PKMSMN1; SMN2
SCHEMBL17616828 0.86 MAPK1 (0.39) MAPK1KDM4EALDH1A1PKMSMN1; SMN2
SCHEMBL12431722 0.84 MAPK1 (0.35) MAPK1KDM4EALDH1A1PKMSMN1; SMN2
SCHEMBL17601883 0.83 MAPK1 (0.42) MAPK1KDM4EALDH1A1PKMSMN1; SMN2
SCHEMBL17616839 0.83 MAPK1 (0.42) MAPK1KDM4EALDH1A1PKMSMN1; SMN2
SCHEMBL17616827 0.83 CYP3A4 (0.49) MAPK1KDM4EALDH1A1PKMSMN1; SMN2
SCHEMBL12431716 0.82 MIF (0.41) MAPK1KDM4EALDH1A1PKMTDP1
SCHEMBL12510737 0.82 MAPK1 (0.33) MAPK1KDM4EALDH1A1PKMSMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9499505-B2 Process for the epoxidation of olefins CHANG CHUN PLASTICS CO., LTD. (TW) 2016-11-22 — — US disclosed
US-9499505-B2 Process for the epoxidation of olefins CHANG CHUN PLASTICS CO., LTD. (TW) 2016-11-22 — — US disclosed
US-20160177023-A1 CONTINUOUS PROCESS OF OLEFINIC EPOXIDATION BY SUPPORTED HETEROPOLY ACID CHANG CHUN PLASTICS CO., LTD. (TW) 2016-06-23 — — US disclosed
US-20160177023-A1 CONTINUOUS PROCESS OF OLEFINIC EPOXIDATION BY SUPPORTED HETEROPOLY ACID CHANG CHUN PLASTICS CO., LTD. (TW) 2016-06-23 — — US disclosed
US-20160083360-A1 PROCESS FOR THE EPOXIDATION OF OLEFINS CHANG CHUN PLASTICS CO., LTD. (TW) 2016-03-24 — — US disclosed
US-20160083360-A1 PROCESS FOR THE EPOXIDATION OF OLEFINS CHANG CHUN PLASTICS CO., LTD. (TW) 2016-03-24 — — 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-20160083360-A1 PROCESS FOR THE EPOXIDATION OF OLEFINS HSF1, HMOX1, HSPH1 MAPK1 1550/4885KDM4E 4503/4885ALDH1A1 508/4885

“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.

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