SCHEMBL10021719

SCHEMBL10021719

CCc1cccc(/C=C/C(=O)/C=C/c2cccc(OCCN3CCCCC3)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.65
▸ ALDH1A1 P00352 5/20 0.65
▸ SMN1; SMN2 Q16637 2/20 0.65
▸ POLB P06746 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ ESR1 P03372 4/20 0.50
▸ MAOB P27338 2/20 0.50
▸ KMT2A Q03164 1/20 0.47
▸ BACE1 P56817 1/20 0.47
▸ PKM P14618 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ FAAH O00519 1/20 0.46

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
SCHEMBL21203258 0.88 LTA4H (0.60) KDM4EALDH1A1POLBGAAESR1
SCHEMBL10021700 0.87 MAOB (0.59) KDM4EPOLBGAAESR1MAOB
SCHEMBL15996545 0.86 MAOB (0.51) KDM4EALDH1A1SMN1; SMN2POLBGAA
SCHEMBL15996357 0.83 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2POLBGAA
SCHEMBL21203260 0.83 MAOB (0.60) KDM4EALDH1A1SMN1; SMN2ESR1MAOB
SCHEMBL10021699 0.82 MAOB (0.60) KDM4EALDH1A1SMN1; SMN2MAOBKMT2A
SCHEMBL13766268 0.82 KDM4E (0.97) KDM4EALDH1A1SMN1; SMN2POLBGAA
SCHEMBL14970709 0.82 KDM4E (0.97) KDM4EALDH1A1SMN1; SMN2POLBGAA
Hydrochloric Acid SCHEMBL14966569 0.81 KDM4E (0.94) KDM4EALDH1A1SMN1; SMN2POLBGAA
SCHEMBL305458 0.80 KDM4E (1.00) KDM4EALDH1A1SMN1; SMN2ESR1BACE1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359279-B2 Treatment of cancer, inflammatory disease, and autoimmune disease ALLIANZ PHARMASCIENCE LTD. (TW) 2016-06-07 — — US disclosed
US-20140371177-A1 TREATMENT OF CANCER, INFLAMMATORY DISEASE, AND AUTOIMMUNE DISEASE ALLIANZ PHARMASCIENCE LTD. (TW) 2014-12-18 — — US disclosed
US-8822732-B2 1,5-diphenyl-penta-1,4-dien-3-one compounds ANDROSCIENCE CORPORATION (US) 2014-09-02 — — US disclosed
US-20120046247-A1 1,5-DIPHENYL-PENTA-1,4-DIEN-3-ONE COMPOUNDS ALLIANZ PHARMASCIENCE LTD. (TW) 2012-02-23 — — 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 (2 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-20120046247-A1 1,5-DIPHENYL-PENTA-1,4-DIEN-3-ONE COMPOUNDS PDCD5, IL5, MALT1 KDM4E 1325/4885ALDH1A1 67/4885SMN1; SMN2 3326/4885
US-20140371177-A1 TREATMENT OF CANCER, INFLAMMATORY DISEASE, AND AUTOIMMUNE DISEASE PHOSPHO1, SELENOI, CD2 KDM4E 433/4885ALDH1A1 959/4885SMN1; SMN2 3051/4885

“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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