SCHEMBL17616828

SCHEMBL17616828

O=C(OCC1CC=CCC1)C1CC=CCC1C(=O)OCC1CC=CCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 2/20 0.38
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ CCNB1 P14635 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CCNA1 P78396 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ KDM4E B2RXH2 7/20 0.35
▸ ALDH1A1 P00352 6/20 0.35
▸ TDP1 Q9NUW8 3/20 0.35
▸ PKM P14618 1/20 0.35

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
SCHEMBL17616827 0.90 CYP3A4 (0.49) MAPK1HTTKMT2AMEN1CYP3A4
SCHEMBL17616840 0.86 MAPK1 (0.39) MAPK1HTTKMT2AMEN1SMN1; SMN2
SCHEMBL29753313 0.84 MAPK1 (0.37) MAPK1CYP3A4SMN1; SMN2CDK1CCNB1
SCHEMBL472104 0.84 MIF (0.40) MAPK1HTTKMT2AMEN1SMN1; SMN2
SCHEMBL17601883 0.83 MAPK1 (0.42) MAPK1HTTKMT2AMEN1CYP1A2
SCHEMBL17616839 0.83 MAPK1 (0.42) MAPK1HTTKMT2AMEN1CYP1A2
SCHEMBL11338767 0.83 KDM4E (0.40) MAPK1HTTKMT2ACYP3A4SMN1; SMN2
SCHEMBL17838081 0.81 MAPK1 (0.41) MAPK1HTTKMT2AMEN1CYP1A2
SCHEMBL472150 0.81 KDM4E (0.42) MAPK1KMT2AMEN1CYP3A4SMN1; SMN2
SCHEMBL17616841 0.80 SMN1; SMN2 (0.42) MAPK1HTTKMT2AMEN1CYP1A2

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 1550/4885HTT 541/4885KMT2A 4783/4885

“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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