SCHEMBL21333765

SCHEMBL21333765

COc1ccc2c(c1)C(C)(C)C1(C=Cc3cc(Cl)c4cccnc4c3O1)N2C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.38
MAPT P10636 7/20 0.38
HTT P42858 6/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
KMT2A Q03164 5/20 0.38
GAA P10253 4/20 0.38
TDP1 Q9NUW8 4/20 0.38
KDM4E B2RXH2 4/20 0.38
MEN1 O00255 4/20 0.38
ALDH1A1 P00352 4/20 0.38
POLB P06746 4/20 0.38
THRB P10828 3/20 0.38
RECQL P46063 3/20 0.38
HPGD P15428 2/20 0.38
PKM P14618 2/20 0.38
TSHR P16473 2/20 0.38
ALOX12 P18054 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.38
PLIN1 O60240 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
SCHEMBL21333750 0.89 MAPT (0.39) LMNAMAPTHTTSMN1; SMN2KMT2A
SCHEMBL21350650 0.87 MAPT (0.49) LMNAMAPTHTTSMN1; SMN2KMT2A
SCHEMBL8681706 0.81 MAPT (0.38) LMNAMAPTHTTSMN1; SMN2KMT2A
SCHEMBL8680939 0.77 MAPT (0.41) LMNAMAPTHTTSMN1; SMN2KMT2A
SCHEMBL8678924 0.77 MAPT (0.38) LMNAMAPTHTTSMN1; SMN2KMT2A
SCHEMBL10595643 0.76 MAPT (0.48) LMNAMAPTHTTSMN1; SMN2KMT2A
SCHEMBL8680051 0.76 MAPT (0.49) LMNAMAPTHTTSMN1; SMN2KMT2A
SCHEMBL10418850 0.75 MAPT (0.46) LMNAMAPTHTTSMN1; SMN2KMT2A
SCHEMBL8680344 0.75 MAPT (0.44) LMNAMAPTHTTSMN1; SMN2KMT2A
SCHEMBL8681952 0.75 MAPT (0.39) LMNAMAPTSMN1; SMN2KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11618756-B2 Compounds for coordinating with a metal, compositions containing such compounds, and methods of catalyzing reactions PPG INDUSTRIES OHIO, INC. (US) 2023-04-04 US disclosed
US-20210079009-A1 Compounds for Coordinating with a Metal, Compositions Containing Such Compounds, and Methods of Catalyzing Reactions PPG INDUSTRIES OHIO, INC. (US) 2021-03-18 US disclosed
EP-3762143-A1 COMPOUNDS FOR COORDINATING WITH A METAL, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF CATALYZING REACTIONS PPG Industries Ohio Inc. (US) 2021-01-13 EP disclosed
WO-2019173836-A1 COMPOUNDS FOR COORDINATING WITH A METAL, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF CATALYZING REACTIONS PPG INDUSTRIES OHIO, INC. (US) 2019-09-12 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-20210079009-A1 Compounds for Coordinating with a Metal, Compositions Containing Such Compounds, and Methods of Catalyzing Reactions EPDR1, BRD2, EED LMNA 1127/4885MAPT 4810/4885HTT 3676/4885
US-11618756-B2 Compounds for coordinating with a metal, compositions containing such compounds, and methods of catalyzing reactions EPDR1, BRD2, EED LMNA 1127/4885MAPT 4810/4885HTT 3676/4885

“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.