SCHEMBL21247064

SCHEMBL21247064

N#Cc1ccc2c(c[c]c3ccccc32)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP1B1 Q16678 1/20 0.37
CYP19A1 P11511 1/20 0.36
CYP17A1 P05093 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
XDH P47989 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
IMPDH2 P12268 1/20 0.35
IMPDH1 P20839 1/20 0.35
CYP2A6 P11509 1/20 0.35
ENPP3 O14638 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TNKS O95271 1/20 0.34
PDPK1 O15530 1/20 0.34
TSHR P16473 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
SCHEMBL21250157 0.87 CA1 (0.47) CA1CA2CYP19A1CYP17A1CYP11B1
SCHEMBL21247063 0.83 CA1 (0.47) CA1CA2CYP1A1CYP1A2CYP1B1
SCHEMBL22042786 0.79 CA1 (0.46) CA1CA2CYP1A1CYP1A2CYP1B1
SCHEMBL1344052 0.74 CA1 (0.67) CA1CA2CYP1A1CYP1A2CYP1B1
SCHEMBL9958196 0.74 ESR1 (0.40) CYP1A2ALDH1A1
SCHEMBL2387979 0.74 CYP1A2 (0.42) CYP1A1CYP1A2CYP1B1XDHCYP2A6
SCHEMBL18317758 0.74 NQO2 (0.42) CYP1A2CYP2A6KDM4EALDH1A1
SCHEMBL25131 0.73 ALDH1A1 (0.46) CYP1A2CYP1B1CYP2A6KDM4EALDH1A1
SCHEMBL12320895 0.73 CA1 (0.65) CA1CA2CYP1A1CYP1A2CYP1B1
SCHEMBL12310187 0.73 CA1 (0.65) CA1CA2CYP1A1CYP1A2CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3749631-B1 TRIARYLMETHANE COMPOUNDS MITSUBISHI GAS CHEMICAL CO (JP) 2024-03-06 EP disclosed
CN-111712481-B triarylmethane compounds 三菱瓦斯化学株式会社 2024-01-16 CN disclosed
US-20230391704-A1 TRIARYLMETHANE COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-12-07 US disclosed
US-11760712-B2 Triarylmethane compounds MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-09-19 US disclosed
US-20210371367-A1 TRIARYLMETHANE COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-12-02 US disclosed
EP-3749631-A1 TRIARYLMETHANE COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-12-16 EP disclosed
CN-111712481-A Triarylmethane compounds 三菱瓦斯化学株式会社 2020-09-25 CN disclosed
WO-2019154730-A1 TRIARYLMETHANE COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2019-08-15 WO disclosed
WO-2019154727-A1 TRIARYLMETHANE COMPOUNDS REUTER CHEMISCHE APPARATEBAU KG (DE) 2019-08-15 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 (3 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-20230391704-A1 TRIARYLMETHANE COMPOUNDS CBR3, HAX1, HRH3 CA1 3881/4885CA2 3417/4885CYP1A1 34/4885
US-11760712-B2 Triarylmethane compounds CBR3, HAX1, HRH3 CA1 3881/4885CA2 3417/4885CYP1A1 34/4885
US-20210371367-A1 TRIARYLMETHANE COMPOUNDS CBR3, HAX1, HRH3 CA1 3881/4885CA2 3417/4885CYP1A1 34/4885

“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.