SCHEMBL29625836

SCHEMBL29625836

COc1cccc(OC)c1-c1ncc(Cl)cc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.47
HSP90AB1 P08238 3/20 0.47
G6PD P11413 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ADRA2B P18089 1/20 0.39
PTGS1 P23219 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FYN P06241 1/20 0.36
HPGDS O60760 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
GRIA1 P42261 1/20 0.36
CACNG8 Q8WXS5 1/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
NQO2 P16083 1/20 0.36
DHPS P49366 1/20 0.35

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
SCHEMBL23175220 1.00 HSP90AA1 (0.47) HSP90AA1HSP90AB1G6PDALDH1A1ADRA2B
SCHEMBL23946432 0.90 HSP90AA1 (0.42) HSP90AA1HSP90AB1G6PDALDH1A1ADRA2B
SCHEMBL29625828 0.73 ALDH1A1 (0.48) HSP90AA1HSP90AB1G6PDALDH1A1ADRA2B
SCHEMBL23175282 0.73 ALDH1A1 (0.48) HSP90AA1HSP90AB1G6PDALDH1A1ADRA2B
SCHEMBL10824051 0.73 HSP90AA1 (0.38) HSP90AA1HSP90AB1TDP1FYNCYP1A2
SCHEMBL25499787 0.72 HSP90AA1 (0.41) HSP90AA1HSP90AB1G6PDALDH1A1CYP1A2
SCHEMBL17982605 0.71 HSP90AA1 (0.53) HSP90AA1HSP90AB1ALDH1A1ADRA2BPTGS1
SCHEMBL305881 0.71 HTR1A (0.43) CYP1A2CYP3A4CYP2C19DHPS
SCHEMBL17110530 0.69 ADORA2A (0.47) ALDH1A1GAAADORA2AADORA1
SCHEMBL11154928 0.69 DOT1L (0.46) ALDH1A1NPC1NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114502554-B Metal complex and electron transport material using the same 大电株式会社 2025-04-25 CN disclosed
US-20220344599-A1 METAL COMPLEX AND ELECTRON TRANSPORTING MATERIAL COMPRISING SAME DYDEN CORPORATION (JP) 2022-10-27 US disclosed
CN-114502554-A Metal complex and electron transport material using the same 大电株式会社 2022-05-13 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-20220344599-A1 METAL COMPLEX AND ELECTRON TRANSPORTING MATERIAL COMPRISING SAME RB1, RER1, RRS1 HSP90AA1 3257/4885HSP90AB1 3657/4885G6PD 1647/4885

“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.