SCHEMBL20588604

SCHEMBL20588604

N#Cc1c(C=O)ccc(C=O)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
TRIM24 O15164 2/20 0.33
TRIM33 Q9UPN9 2/20 0.33
TSHR P16473 1/20 0.33
EGFR P00533 1/20 0.33
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
ERN1 O75460 1/20 0.31
RAD51 Q06609 1/20 0.31
TYR P14679 2/20 0.30
MDM4 O15151 1/20 0.30

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
SCHEMBL19873366 0.89 TDP1 (0.33) MEN1KMT2ATDP1LMNATHRB
SCHEMBL3432000 0.79 MEN1 (0.36) MEN1KMT2ATDP1LMNATHRB
SCHEMBL28840351 0.77 ERN1 (0.36) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL18353438 0.77 KDM4E (0.40) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL7193571 0.77 CA1 (0.47) MEN1KMT2ATDP1LMNATHRB
SCHEMBL30439279 0.77 CA1 (0.47) MEN1KMT2ATDP1LMNATHRB
SCHEMBL3023051 0.77 MEN1 (0.42) MEN1KMT2ATDP1LMNATHRB
SCHEMBL18300944 0.75 ERN1 (0.55) MEN1KMT2ATDP1LMNATHRB
SCHEMBL21922442 0.75 ERN1 (0.38) MEN1KMT2ATDP1LMNATHRB
SCHEMBL18146016 0.75 ALDH1A1 (0.54) MEN1KMT2ATDP1LMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110770230-B Production of trimethylbenzene derivatives 罗地亚经营管理公司 2024-03-26 CN claimed
EP-3638663-B1 PRODUCTION OF TRI-METHYL BENZENE DERIVATIVES RHODIA OPERATIONS (FR) 2021-11-17 EP claimed
US-20200216382-A1 PRODUCTION OF TRI-METHYL BENZENE DERIVATIVES SPECIALTY OPERATIONS FRANCE (FR) 2020-07-09 US claimed
EP-3638663-A1 PRODUCTION OF TRI-METHYL BENZENE DERIVATIVES Rhodia Operations (FR) 2020-04-22 EP claimed
WO-2018229237-A1 PRODUCTION OF TRI-METHYL BENZENE DERIVATIVES RHODIA OPERATIONS (FR) 2018-12-20 WO claimed

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-20200216382-A1 PRODUCTION OF TRI-METHYL BENZENE DERIVATIVES TET1, TERF2, TET2 MEN1 2309/4885KMT2A 410/4885TDP1 1307/4885

“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.