SCHEMBL21858063

SCHEMBL21858063

C(#Cc1ccc2ccc[c]c2c1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 2/20 0.47
APP P05067 1/20 0.43
MAPT P10636 1/20 0.39
GRM5 P41594 8/20 0.38
HNF4A P41235 1/20 0.38
KCNH2 Q12809 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP1B1 Q16678 1/20 0.35
FFAR1 O14842 1/20 0.33

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
SCHEMBL21858097 0.89 ASIC3 (0.44) ASIC3GRM5CA1CA2CA9
SCHEMBL21858045 0.86 ASIC3 (0.47) ASIC3APPMAPTGRM5HNF4A
SCHEMBL21858027 0.81 CHAT (0.49) ASIC3MAPTGRM5CA1CA2
SCHEMBL21858068 0.79 ASIC3 (0.44) ASIC3GRM5CA1CA2CA9
SCHEMBL644338 0.78 CA1 (0.44) CA1CA2
SCHEMBL10705668 0.74 ASIC3 (0.63) ASIC3APPMAPTGRM5HNF4A
SCHEMBL30447338 0.74 ASIC3 (0.63) ASIC3APPMAPTGRM5HNF4A
SCHEMBL1620112 0.73 ASIC3 (0.31) ASIC3APPMAPTCYP1A2
SCHEMBL8628482 0.72 ASIC3 (0.61) ASIC3APPMAPTGRM5HNF4A
SCHEMBL430978 0.72 ASIC3 (0.61) ASIC3APPMAPTGRM5HNF4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112955422-B polycyclic compound 三菱瓦斯化学株式会社 2023-08-22 CN claimed
US-20210355058-A1 POLYCYCLIC COMPOUNDS MITSUBISHI GAS CHEMICAL CO (JP) 2021-11-18 US claimed
US-20210340317-A1 POLYCYCLIC COMPOUNDS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2021-11-04 US claimed
CN-112955422-A Polycyclic compounds 三菱瓦斯化学株式会社 2021-06-11 CN claimed
WO-2020080558-A1 POLYCYCLIC COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-04-23 WO claimed
WO-2020079225-A1 POLYCYCLIC COMPOUNDS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2020-04-23 WO claimed
CN-112955422-B polycyclic compound 三菱瓦斯化学株式会社 2023-08-22 CN disclosed
US-20210355058-A1 POLYCYCLIC COMPOUNDS MITSUBISHI GAS CHEMICAL CO (JP) 2021-11-18 US disclosed
US-20210340317-A1 POLYCYCLIC COMPOUNDS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2021-11-04 US disclosed
CN-112955422-A Polycyclic compounds 三菱瓦斯化学株式会社 2021-06-11 CN disclosed
WO-2020080558-A1 POLYCYCLIC COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-04-23 WO disclosed
WO-2020079225-A1 POLYCYCLIC COMPOUNDS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2020-04-23 WO 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 (2 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-20210340317-A1 POLYCYCLIC COMPOUNDS CBR1, C1R, CBR3 ASIC3 1634/4885APP 3065/4885MAPT 4484/4885
US-20210355058-A1 POLYCYCLIC COMPOUNDS CBR1, CBR3, C1R ASIC3 1443/4885APP 3100/4885MAPT 4486/4885

“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.