SCHEMBL4858667

SCHEMBL4858667

[c]1cc2cc3ccccc3cc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
KDM4E B2RXH2 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL17748425 0.79 KDM4E (0.40) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL1188 0.79
SCHEMBL9739814 0.76 FGFR1 (0.50) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL9740964 0.73 NPC1 (0.55) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL5441549 0.72 MAPT (0.54) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL18315984 0.71 GPR84 (0.50) KDM4EMEN1KMT2AALDH1A1HSD17B10
Anthracene SCHEMBL29352043 0.71 CYP2A6 (0.64) MAPTKDM4EMEN1KMT2AL3MBTL1
Anthracene SCHEMBL7703 0.71 CYP2A6 (0.64) MAPTKDM4EMEN1KMT2AL3MBTL1
Anthracene SCHEMBL2833889 0.71 CYP2A6 (0.64) MAPTKDM4EMEN1KMT2AL3MBTL1
Anthracene SCHEMBL5713429 0.71 CYP2A6 (0.64) MAPTKDM4EMEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230391704-A1 TRIARYLMETHANE COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-12-07 US claimed
US-20210371367-A1 TRIARYLMETHANE COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-12-02 US claimed
CN-111712481-A Triarylmethane compounds 三菱瓦斯化学株式会社 2020-09-25 CN claimed
EP-4365176-A1 KRAS G12D INHIBITOR AND USE THEREOF Shanghai de Novo Pharmatech Co., Ltd. (CN) 2024-05-08 EP 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
WO-2023274383-A1 KRAS G12D INHIBITOR AND USE THEREOF 上海迪诺医药科技有限公司 2023-01-05 WO disclosed
US-20210371367-A1 TRIARYLMETHANE COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-12-02 US 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-111712481-A Triarylmethane compounds 三菱瓦斯化学株式会社 2020-09-25 CN disclosed
WO-2020079225-A1 POLYCYCLIC COMPOUNDS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2020-04-23 WO disclosed
US-7388100-B2 Tertiary amine compounds NISHIO TETSUYA 2008-06-17 US disclosed
US-20060145145-A1 Tertiary amine compounds, organic semiconductor devices using the same and organic electroluminescence devices using the same NISHIO TETSUYA 2006-07-06 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 (6 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 MAPT 4484/4885KDM4E 1132/4885MEN1 3144/4885
US-20230391704-A1 TRIARYLMETHANE COMPOUNDS CBR3, HAX1, HRH3 MAPT 4486/4885KDM4E 1561/4885MEN1 3609/4885
US-20210355058-A1 POLYCYCLIC COMPOUNDS CBR1, CBR3, C1R MAPT 4486/4885KDM4E 965/4885MEN1 3753/4885
US-11760712-B2 Triarylmethane compounds CBR3, HAX1, HRH3 MAPT 4486/4885KDM4E 1561/4885MEN1 3609/4885
US-20210371367-A1 TRIARYLMETHANE COMPOUNDS CBR3, HAX1, HRH3 MAPT 4486/4885KDM4E 1561/4885MEN1 3609/4885
US-20060145145-A1 Tertiary amine compounds, organic semiconductor devices using the same and organic electroluminescence devices using the same PIEZO1, YES1, SAT1 MAPT 1211/4885KDM4E 710/4885MEN1 1103/4885

“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.