SCHEMBL25834753

SCHEMBL25834753

COc1ccc(C2=CC(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.79
BACE1 P56817 6/20 0.67
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
NSD2 O96028 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CDC25B P30305 3/20 0.54
IDO1 P14902 1/20 0.54
CDC25A P30304 1/20 0.54
MAPT P10636 3/20 0.54
NPC1 O15118 1/20 0.54
TP53 P04637 1/20 0.54
TSHR P16473 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
KDM4E B2RXH2 1/20 0.53
PKM P14618 1/20 0.53
MAPK1 P28482 1/20 0.53

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
SCHEMBL28121286 0.83 BACE1 (0.60) PTPN1BACE1MEN1KMT2ANSD2
SCHEMBL11048150 0.81 BACE1 (0.72) PTPN1BACE1MEN1KMT2ANSD2
SCHEMBL5485068 0.80 BACE1 (1.00) PTPN1BACE1MEN1KMT2AL3MBTL1
SCHEMBL29673492 0.80 BACE1 (1.00) PTPN1BACE1MEN1KMT2AL3MBTL1
SCHEMBL29647664 0.79 BACE1 (0.73) PTPN1BACE1MEN1KMT2ACDC25B
SCHEMBL27006528 0.79 BACE1 (0.73) PTPN1BACE1MEN1KMT2ACDC25B
Methylamine SCHEMBL3277347 0.79 BACE1 (0.89) PTPN1BACE1MEN1KMT2AL3MBTL1
SCHEMBL25834756 0.79 BACE1 (0.75) PTPN1BACE1MEN1KMT2ACDC25B
SCHEMBL28556962 0.77 BACE1 (0.72) PTPN1BACE1MEN1KMT2ANSD2
SCHEMBL31423340 0.77 BACE1 (1.00) PTPN1BACE1MEN1KMT2ACDC25B

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-20230227393-A1 IRON CATALYZED HIGHLY ENANTIOSELECTIVE CIS-DIHYDROXYLATION OF QUINONES THE UNIVERSITY OF HONG KONG (CN) 2023-07-20 US disclosed
US-20230227393-A1 IRON CATALYZED HIGHLY ENANTIOSELECTIVE CIS-DIHYDROXYLATION OF QUINONES THE UNIVERSITY OF HONG KONG (CN) 2023-07-20 US disclosed
CN-113861169-A Polysubstituted naphtho-dihydrofuran compound, preparation method and application thereof 西华大学 2021-12-31 CN disclosed
CN-108530394-A A kind of synthesis vitamin K3The method of epoxides 中国科学院成都有机化学有限公司 2018-09-14 CN 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-20230227393-A1 IRON CATALYZED HIGHLY ENANTIOSELECTIVE CIS-DIHYDROXYLATION OF QUINONES NFE2L2, DUOX1, DUOX2 PTPN1 4633/4885BACE1 608/4885MEN1 1455/4885

“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.