SCHEMBL17616827

SCHEMBL17616827

O=C(OCC1CC=CCC1)C1CCCCC1C(=O)OCC1CC=CCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ KDM4E B2RXH2 4/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ MAPK1 P28482 1/20 0.38
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CCNA1 P78396 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ PKM P14618 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL17616828 0.90 MAPK1 (0.39) CYP3A4TP53KDM4ETDP1MAPK1
SCHEMBL11338767 0.87 KDM4E (0.40) CYP3A4TP53KDM4ETDP1MAPK1
SCHEMBL472150 0.85 KDM4E (0.42) CYP3A4TP53KDM4ETDP1MAPK1
SCHEMBL17616840 0.83 MAPK1 (0.39) KDM4ETDP1MAPK1KMT2AMEN1
SCHEMBL29753313 0.81 MAPK1 (0.37) CYP3A4TP53KDM4ETDP1MAPK1
SCHEMBL472104 0.81 MIF (0.40) KDM4ETDP1MAPK1KMT2AMEN1
SCHEMBL17601883 0.80 MAPK1 (0.42) KDM4ETDP1MAPK1KMT2AMEN1
SCHEMBL17616839 0.80 MAPK1 (0.42) KDM4ETDP1MAPK1KMT2AMEN1
SCHEMBL17838081 0.79 MAPK1 (0.41) KDM4ETDP1MAPK1KMT2AMEN1
SCHEMBL27853809 0.78 MAPK1 (0.35) KDM4ETDP1MAPK1SMN1; SMN2CDK1

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 CYP3A4 236/4885TP53 2328/4885KDM4E 4503/4885

“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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