SCHEMBL25834626

SCHEMBL25834626

CC1=C(c2ccccc2)C(=O)C=CC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
HSD17B3 P37058 1/20 0.45
PDE4B Q07343 2/20 0.43
HK2 P52789 1/20 0.39
CDC25B P30305 3/20 0.39
IDO1 P14902 1/20 0.39
AKT1 P31749 1/20 0.39
SNCA P37840 1/20 0.39
MAP2K1 Q02750 1/20 0.39
PIN1 Q13526 1/20 0.39
EHMT2 Q96KQ7 1/20 0.39
NSD1 Q96L73 1/20 0.39
EHMT1 Q9H9B1 1/20 0.39
MAPT P10636 4/20 0.38
HTT P42858 3/20 0.38
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MITF O75030 1/20 0.38
LMNA P02545 3/20 0.38

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
SCHEMBL57764 0.83 MAOA (0.52) MAOAMAOBHSD17B3PDE4BCDC25B
SCHEMBL25834313 0.82 CYP2D6 (0.48) HSD17B3MAPTHTTALDH1A1NPSR1
Ammonia Solution, Strong SCHEMBL634924 0.80 MAOA (0.50) MAOAMAOBHSD17B3PDE4BCDC25B
SCHEMBL14407340 0.78 PDE4B (0.53) MAOAMAOBHSD17B3PDE4BHK2
SCHEMBL25834311 0.78 PTPRC (0.39) MAOAMAOBHSD17B3MAPTHTT
Hydrochloric Acid SCHEMBL28103558 0.77 MAPT (0.39) PDE4BMAPTALDH1A1LMNARAB9A
Benzoquinone SCHEMBL20451202 0.76 MAOA (0.58) MAOAMAOBHSD17B3PDE4BCDC25B
SCHEMBL25835143 0.75 MAPT (0.59) MAPTPKMRAB9AKMT2APTGS2
SCHEMBL11575247 0.74 MAOA (0.45) MAOAMAOBHSD17B3PDE4BCDC25B
SCHEMBL31051316 0.74 IDO1 (0.46) MAOAMAOBCDC25BIDO1AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115093818-B Electronic grade adhesive and preparation method thereof 浙江亦龙新材料有限公司 2023-08-11 CN disclosed
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-1181817-C NF-KB inhibitors containing as active ingredient phenylmethyl benzoquinone ��һ��������ҩ��ʽ���� 2004-12-29 CN disclosed
CN-1262618-A NF-KB inhibitors containing as active ingredient phenylmethyl benzoquinone SUNTORY LTD (JP) 2000-08-09 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 MAOA 44/4885MAOB 90/4885HSD17B3 124/4885

“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.