SCHEMBL10021702

SCHEMBL10021702

O=C(/C=C/c1cccc(O)c1)/C=C/c1cccc(OCCN2CCOCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 4/20 0.57
▸ NFE2L2 Q16236 4/20 0.57
▸ KDM4E B2RXH2 3/20 0.56
▸ TP53 P04637 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ KDR P35968 1/20 0.52
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ MAOB P27338 2/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ PDGFRB P09619 1/20 0.47
▸ PDGFRA P16234 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ HTT P42858 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
SCHEMBL10021700 0.89 MAOB (0.59) KDM4EKDRPOLBMAOB
SCHEMBL21203245 0.85 KDM4E (0.58) KDM4EMEN1KMT2AMAOB
SCHEMBL10021699 0.83 MAOB (0.60) KDM4EMEN1KMT2AMAOBALDH1A1
SCHEMBL5323122 0.83 KDM4E (0.64) KDM4ETP53TSHRKDRNPC1
SCHEMBL21203259 0.83 KEAP1 (0.49) KEAP1NFE2L2KDM4ETP53TSHR
SCHEMBL22887508 0.81 KDM4E (0.60) KEAP1NFE2L2KDM4ETP53TSHR
SCHEMBL22887475 0.81 KDM4E (0.60) KEAP1NFE2L2KDM4ETP53TSHR
SCHEMBL29417693 0.81 KDM4E (0.62) KDM4ETP53TSHRNPC1RAB9A
SCHEMBL210600 0.81 KDM4E (0.62) KDM4ETP53TSHRNPC1RAB9A
SCHEMBL21203258 0.81 LTA4H (0.60) KDM4EPOLBKMT2AMAOBALDH1A1

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
EP-3564204-A1 1,5-DIPHENYL-PENTA-1,4-DIEN-3-ONE COMPOUNDS The University of Tokyo (JP) 2019-11-06 — — EP disclosed
EP-3045445-B1 1,5-DIPHENYL-PENTA-1,4-DIEN-3-ONE COMPOUNDS UNIV TOKYO (JP) 2019-08-07 — — EP disclosed
EP-2606021-B1 1,5-DIPHENYL-PENTA-1,4-DIEN-3-ONE COMPOUNDS UNIV TOKYO (JP) 2019-07-31 — — EP disclosed
US-9359279-B2 Treatment of cancer, inflammatory disease, and autoimmune disease ALLIANZ PHARMASCIENCE LTD. (TW) 2016-06-07 — — US disclosed
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-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-8822732-B2 1,5-diphenyl-penta-1,4-dien-3-one compounds ANDROSCIENCE CORPORATION (US) 2014-09-02 — — US disclosed
WO-2012024282-A2 1,5-DIPHENYL-PENTA-1,4-DIEN-3-ONE COMPOUNDS SHIH CHARLES C-Y (US) 2012-02-23 — — WO disclosed
US-20120046247-A1 1,5-DIPHENYL-PENTA-1,4-DIEN-3-ONE COMPOUNDS ALLIANZ PHARMASCIENCE LTD. (TW) 2012-02-23 — — 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 KEAP1 2705/4885NFE2L2 957/4885KDM4E 1325/4885
US-20140371177-A1 TREATMENT OF CANCER, INFLAMMATORY DISEASE, AND AUTOIMMUNE DISEASE PHOSPHO1, SELENOI, CD2 KEAP1 3233/4885NFE2L2 1553/4885KDM4E 433/4885

“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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