SCHEMBL3465063

SCHEMBL3465063

C=C(C)c1ccc2c(c1)OCO2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
ALDH1A1 P00352 5/20 0.58
MAPK1 P28482 1/20 0.58
SRD5A2 P31213 1/20 0.51
NPC1 O15118 4/20 0.51
MAPT P10636 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP3A4 P08684 2/20 0.50
LMNA P02545 1/20 0.49
HPGD P15428 6/20 0.49
PKM P14618 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
MAOB P27338 1/20 0.49
POLB P06746 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL7074497 0.83 MEN1 (0.62) MEN1KMT2AALDH1A1MAPK1SRD5A2
SCHEMBL27481742 0.82 ALDH1A1 (0.66) MEN1KMT2AALDH1A1MAPK1SRD5A2
SCHEMBL16560481 0.82 ALDH1A1 (0.66) MEN1KMT2AALDH1A1MAPK1SRD5A2
SCHEMBL18650655 0.80 MEN1 (0.59) MEN1KMT2AALDH1A1MAPK1SRD5A2
3,4-Methylendioxy Acetophenone SCHEMBL29405437 0.80 KDM4E (0.71) MEN1KMT2AALDH1A1MAPK1SRD5A2
SCHEMBL21451034 0.80 MEN1 (0.59) MEN1KMT2AALDH1A1MAPK1SRD5A2
SCHEMBL26604309 0.80 MEN1 (0.59) MEN1KMT2AALDH1A1MAPK1SRD5A2
3,4-Methylendioxy Acetophenone SCHEMBL137979 0.80 KDM4E (0.71) MEN1KMT2AALDH1A1MAPK1SRD5A2
SCHEMBL16152423 0.79 KMT2A (0.58) MEN1KMT2AALDH1A1MAPK1SRD5A2
SCHEMBL19435741 0.78 KMT2A (0.65) MEN1KMT2AALDH1A1MAPK1SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4212809-A Process for the preparation of 5-(oxiranylmethyl)-1,3-benzodioxole BAYER AKTIENGESELLSCHAFT (DE) 1980-07-15 US claimed
WO-2024181177-A1 COPOLYMER, POSITIVE RESIST COMPOSITION, AND RESIST PATTERN FORMATION METHOD 日本ゼオン株式会社 2024-09-06 WO disclosed
CN-117867526-A Preparation method of 2-deuterium-1, 2-diphenylethane derivative 五邑大学 2024-04-12 CN disclosed
WO-2024059107-A1 IKZF2 AND CK1-ALPHA DEGRADING COMPOUNDS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2024-03-21 WO disclosed
CN-117384071-A Synthesis method of hydroxy thioether compound 江南大学 2024-01-12 CN disclosed
EP-2527315-B1 Compounds, compositions and methods for the treatment of amyloid diseases and synucleinopathies such as Alzheimer's disease, type 2 diabetes and Parkinson's disease PROTEOTECH INC (US) 2014-03-19 EP disclosed
WO-2012054417-A1 AMIDE DERIVATIVES OF BENZENE-SULFONANILIDE, PHARMACEUTICAL COMPOSITION THEREOF AND METHOD FOR CANCER TREATMENT USING THE SAME CLEVELAND STATE UNIVERSITY (US) 2012-04-26 WO disclosed
US-20100240656-A1 COMPOUNDS AS HSP90 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2010-09-23 US disclosed
EP-2183221-A1 NEW COMPOUNDS AS HSP90 INHIBITORS Crystax Pharmaceuticals S.L. (ES) 2010-05-12 EP disclosed
WO-2009007399-A1 NEW COMPOUNDS AS HSP90 INHIBITORS CRYSTAX PHARMACEUTICALS, S.L. (ES) 2009-01-15 WO disclosed
US-6025310-A RETAINING STABILITY FREE OF HYDROLYSIS FOR PROLONGED PERIOD OF TIME, COMPATIBLE WITH ORGANIC LUBRICANTS HAVING BENZENE RING AND PHOSPHAZINE RING KUBOTA CORPORATION (JP) 2000-02-15 US disclosed
EP-0614869-B1 Hydrogenolytic reduction of peroxidic ozonolysis compounds CHEMIE LINZ GMBH (AT) 1997-05-21 EP disclosed
US-5543560-A Hydrogenolytic reduction of peroxidic ozonolysis products CHEMIE LINZ GESELLSCHAFT M.B.H. (AT) 1996-08-06 US disclosed
US-5475024-A Useful in treating liver disease EISAI CO., LTD. (JP) 1995-12-12 US disclosed
EP-0614869-A1 Hydrogenolytic reduction of peroxidic ozonolysis compounds DSM Chemie Linz GmbH (AT) 1994-09-14 EP disclosed
US-5292901-A Benzodioxole derivatives EISAI CO., LTD. (JP) 1994-03-08 US disclosed
EP-0281098-B1 BENZODIOXOLE DERIVATIVES, COMPOSITIONS COMPRISING THE SAME, AND THE USE OF THE SAME FOR THE MANUFACTURE OF MEDICAMENTS Eisai Co., Ltd. (JP) 1992-11-25 EP disclosed
US-5110956-A Liver disorders EISAI CO., LTD. (JP) 1992-05-05 US disclosed
CN-88101155-A The preparation of benzo benzodioxole derivatives and application thereof 1988-09-28 CN disclosed
EP-0281098-A1 Benzodioxole derivatives, compositions comprising the same, and the use of the same for the manufacture of medicaments Eisai Co., Ltd. (JP) 1988-09-07 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-20100240656-A1 COMPOUNDS AS HSP90 INHIBITORS HSP90AB1, HSP90AB2P, HSP90AA1 MEN1 4594/4885KMT2A 4661/4885ALDH1A1 1875/4885

“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.