SCHEMBL25834302

SCHEMBL25834302

O=C1C=CC(=O)C(c2ccc(Br)cc2)=C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.67
MAOA P21397 1/20 0.65
MAOB P27338 1/20 0.65
MEN1 O00255 3/20 0.62
MAPT P10636 3/20 0.62
KMT2A Q03164 3/20 0.62
MAPK1 P28482 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
KDM4E B2RXH2 1/20 0.62
PKM P14618 1/20 0.62
MCL1 Q07820 1/20 0.62
SETD7 Q8WTS6 6/20 0.53
PTPRC P08575 1/20 0.50
BACE1 P56817 2/20 0.42
PTPN11 Q06124 1/20 0.40
ALDH1A1 P00352 3/20 0.37
GAA P10253 1/20 0.36
CYP2A6 P11509 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36

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
SCHEMBL28172300 0.98 HSD17B3 (0.64) HSD17B3MAOAMAOBMEN1MAPT
SCHEMBL27169536 0.91 HSD17B3 (0.78) HSD17B3MAOAMAOBMEN1MAPT
SCHEMBL27907706 0.80 HSD17B3 (0.64) HSD17B3MAOAMAOBMEN1MAPT
SCHEMBL27764851 0.80 HSD17B3 (0.64) HSD17B3MAOAMAOBMEN1MAPT
SCHEMBL27909553 0.80 HSD17B3 (0.64) HSD17B3MAOAMAOBMEN1MAPT
SCHEMBL10959950 0.80 HSD17B3 (1.00) HSD17B3MAOAMAOBMEN1MAPT
SCHEMBL10765128 0.80 HSD17B3 (0.64) HSD17B3MAOAMAOBMEN1MAPT
SCHEMBL3786541 0.80 KDM4E (0.66) HSD17B3MAOAMAOBMEN1MAPT
SCHEMBL26262 0.79 MAOA (1.00) HSD17B3MAOAMAOBMEN1MAPT
SCHEMBL25834314 0.78 MAOB (0.66) HSD17B3MAOAMAOBMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100376534-C Preparation of monomer of dual functional groups containing lateral group phenylacetylene UNIV JILIN (CN) 2008-03-26 CN claimed
CN-1660757-A Preparation of monomer of dual functional groups containing lateral group phenylacetylene UNIV JILIN (CN) 2005-08-31 CN claimed
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-105462430-B Thick coated type polyether-ether-ketone composite coating and preparation method and application 吉林大学 2017-11-28 CN disclosed
CN-105462430-A Thick coating type polyether-ether-ketone composite coating and preparation method and application thereof UNIV JILIN 2016-04-06 CN disclosed
CN-100376534-C Preparation of monomer of dual functional groups containing lateral group phenylacetylene UNIV JILIN (CN) 2008-03-26 CN disclosed
CN-1660757-A Preparation of monomer of dual functional groups containing lateral group phenylacetylene UNIV JILIN (CN) 2005-08-31 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 HSD17B3 124/4885MAOA 44/4885MAOB 90/4885

“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.