SCHEMBL5887484

SCHEMBL5887484

COc1ccccc1[Se]c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA7 P43166 3/20 0.50
CA9 Q16790 3/20 0.50
CA12 O43570 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA4 P22748 2/20 0.50
ALDH1A1 P00352 3/20 0.41
TP53 P04637 2/20 0.41
TSHR P16473 1/20 0.41
ADRA2B P18089 1/20 0.41
PTGS1 P23219 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 2/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ENPP2 Q13822 1/20 0.39
TRPA1 O75762 1/20 0.38
NFE2L2 Q16236 1/20 0.38
ORAI1 Q96D31 1/20 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
SCHEMBL28504757 0.77 CA1 (0.60) CA1CA2CA7CA9CA12
SCHEMBL5887824 0.75 BBOX1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL28504759 0.73 CA1 (0.55) CA1CA2CA7CA9CA12
1,2-Dimethoxybenzene SCHEMBL27452731 0.72 CA1 (0.93) CA1CA2CA7CA9CA12
SCHEMBL5887622 0.70 ACHE (0.43) CA1CA2CA7CA9CA4
1,2-Dimethoxybenzene SCHEMBL5308636 0.69 CA1 (1.00) CA1CA2CA7CA9CA12
1,2-Dimethoxybenzene SCHEMBL29351917 0.69 CA1 (1.00) CA1CA2CA7CA9CA12
1,2-Dimethoxybenzene SCHEMBL105872 0.69 CA1 (1.00) CA1CA2CA7CA9CA12
SCHEMBL30958569 0.69 BBOX1 (0.43) CA1CA2CA7CA4ALDH1A1
SCHEMBL30958575 0.69 GPR3 (0.44) CA4ALDH1A1POLBSMN1; SMN2KMT2A

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-116178232-A Chiral hydroxy seleno ether and asymmetric synthesis method thereof 湖北滋兰生物医药科技有限公司 2023-05-30 CN disclosed
CN-108191800-A A kind of method that copper catalysis 2- alkynes phenol derivatives synthesizes benzo containing selenium [b] furan derivatives in water phase under microwave radiation 福建医科大学 2018-06-22 CN disclosed
US-7112697-B1 Methods for formation of aryl-sulfur and aryl-selenium compounds using copper(I) catalysts UNIVERSITY OF MASSACHUSETTS (US) 2006-09-26 US disclosed
US-20050269563-A1 Fullerodendrimer-comprising film ECODEVICE LABORATORY CO., LTD. (JP) 2005-12-08 US disclosed
US-20040175568-A1 Can be applied to organic semiconductor devices utilizing the optophysicochemical characteristics of fullerene, and in particular, to solar panel materials, organic EL materials, photorefractive polymers, electrophotographic light-sensitive materials, film materials having environmental cleansing actions ECODEVICE LABORATORY CO., LTD. (JP) 2004-09-09 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-20050269563-A1 Fullerodendrimer-comprising film TOMM70, SCO2, S100A10 CA1 274/4885CA2 3134/4885CA7 1741/4885

“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.