SCHEMBL7730270

SCHEMBL7730270

COc1cc(/C=C/C(=O)O)cc(Br)c1OC

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.79
▸ ALDH1A1 P00352 5/20 0.79
▸ HPGD P15428 4/20 0.79
▸ HSD17B10 Q99714 2/20 0.79
▸ HTR1A P08908 2/20 0.79
▸ HTR2C P28335 1/20 0.79
▸ GAA P10253 2/20 0.73
▸ TNFRSF1A P19438 3/20 0.72
▸ PKM P14618 2/20 0.64
▸ PTGS1 P23219 1/20 0.64
▸ PTGS2 P35354 1/20 0.64
▸ ABCG2 Q9UNQ0 1/20 0.60
▸ HTT P42858 3/20 0.59
▸ ALOX15 P16050 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ TUBB4A P04350 2/20 0.57
▸ TUBB P07437 2/20 0.57
▸ TUBA3C P0DPH7 2/20 0.57
▸ TUBA1B P68363 2/20 0.57

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
SCHEMBL1134588 1.00 KDM4E (0.79) KDM4EALDH1A1HPGDHSD17B10HTR1A
Sinapic Acid Methyl Ether SCHEMBL207442 0.89 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10HTR1A
Sinapic Acid Methyl Ether SCHEMBL207441 0.89 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL28914840 0.88 GAA (0.79) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL30122806 0.88 GAA (0.79) KDM4EALDH1A1HPGDHSD17B10HTR1A
Sinapic Acid Methyl Ether SCHEMBL9757598 0.87 KDM4E (0.96) KDM4EALDH1A1HPGDHSD17B10HTR1A
Sinapic Acid Methyl Ether SCHEMBL9848210 0.87 KDM4E (0.96) KDM4EALDH1A1HPGDHSD17B10HTR1A
Sinapic Acid Methyl Ether SCHEMBL30365738 0.87 KDM4E (0.96) KDM4EALDH1A1HPGDHSD17B10HTR1A
Sinapic Acid Methyl Ether SCHEMBL9757606 0.87 KDM4E (0.96) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL17211760 0.86 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637575-B2 Modulators of protein kinase signaling NOVOTYR THERAPEUTICS LTD. (IL) 2014-01-28 — — US disclosed
US-8536227-B2 — — 2013-09-17 — — US disclosed
US-20110105618-A1 NOVEL MODULATORS OF PROTEIN KINASE SIGNALING NOVOTYR THERAPEUTICS LTD. (IL) 2011-05-05 — — US disclosed
WO-2009147682-A1 NOVEL MODULATORS OF PROTEIN KINASE SIGNALING NOVOTYR THERAPEUTICS LTD. (IL) 2009-12-10 — — WO disclosed
EP-0628311-B1 Xanthine-Derivatives as Antidepressants KYOWA HAKKO KOGYO KK (JP) 2002-04-24 — — EP disclosed
EP-0565377-B1 Therapeutic agents for use in the treatment of Parkinson's Disease KYOWA HAKKO KOGYO KK (JP) 1998-01-07 — — EP disclosed
US-5587378-A ADMINISTERING A SUBSTITUTED XANTHINE COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-12-24 — — US disclosed
US-5543415-A ADMINISTERING A XANTHINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-08-06 — — US disclosed
US-5484920-A XANTHINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-01-16 — — US disclosed
EP-0628311-A1 ANTIDEPRESSANT KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-12-14 — — EP disclosed
EP-0565377-A1 Therapeutic agents for use in the treatment of parkinson's disease KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-10-13 — — EP 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-20110105618-A1 NOVEL MODULATORS OF PROTEIN KINASE SIGNALING MAP3K20, MAP3K1, MAP3K6 KDM4E 1619/4885ALDH1A1 4678/4885HPGD 3081/4885

“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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