SCHEMBL9976084

SCHEMBL9976084

COc1ccc2oc(C)cc(=O)c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.68
ALDH1A1 P00352 7/20 0.65
HPGD P15428 6/20 0.65
KDM4E B2RXH2 6/20 0.65
MAPT P10636 4/20 0.65
NPC1 O15118 3/20 0.65
RAB9A P51151 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
HSD17B10 Q99714 2/20 0.65
TP53 P04637 2/20 0.65
CYP3A4 P08684 2/20 0.65
LMNA P02545 1/20 0.65
THRB P10828 1/20 0.65
NFKB1 P19838 1/20 0.65
NFKB2 Q00653 1/20 0.65
RELA Q04206 1/20 0.65
RXFP1 Q9HBX9 1/20 0.65
CASP3 P42574 1/20 0.64
SENP8 Q96LD8 1/20 0.64
SENP7 Q9BQF6 1/20 0.64

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
SCHEMBL9976083 0.86 MAOB (0.67) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL11866217 0.81 ALDH1A1 (0.63) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL8869846 0.79 ALDH1A1 (0.60) ACHEALDH1A1HPGDKDM4EMAPT
6,4'-Dimethoxyflavone SCHEMBL29478471 0.79 MAPT (1.00) ACHEALDH1A1HPGDKDM4EMAPT
6,4'-Dimethoxyflavone SCHEMBL4281291 0.79 MAPT (1.00) ACHEALDH1A1HPGDKDM4EMAPT
SCHEMBL266614 0.78 MAPT (0.63) ACHEALDH1A1HPGDKDM4EMAPT
SCHEMBL2161251 0.78 ALDH1A1 (1.00) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL29619913 0.78 ALDH1A1 (1.00) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL18397791 0.78 PPARG (0.65) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL21623589 0.78 ALDH1A1 (0.79) ALDH1A1HPGDKDM4EMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118994079-A Method for synthesizing chromone, 1-thiochromone and gamma-pyrone compounds 中国科学院上海药物研究所 2024-11-22 CN disclosed
EP-3597187-A1 BRAG2 INHIBITORS AND APPLICATIONS THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-01-22 EP disclosed
US-8546397-B2 DNA methylation inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-10-01 US disclosed
US-8546397-B2 DNA methylation inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-10-01 US disclosed
WO-2012087889-A2 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-28 WO disclosed
US-20120157465-A1 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-21 US disclosed
US-20120157465-A1 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-21 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-20120157465-A1 DNA METHYLATION INHIBITORS MECP2, DNMT1, DNMT3B ACHE 1560/4885ALDH1A1 2789/4885HPGD 1457/4885

“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.