SCHEMBL3020892

SCHEMBL3020892

CCOC(=O)c1cc(-c2oc(C)c(C(=O)OCC)c2C)cc(CN2CCN(Cc3cc(-c4oc(C)c(C(=O)OCC)c4C)cc(C(=O)OCC)n3)CCN(Cc3cc(-c4oc(C)c(C(=O)OCC)c4C)cc(C(=O)OCC)n3)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 11/20 0.39
KDM4E B2RXH2 7/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 5/20 0.38
KMT2A Q03164 3/20 0.38
MCL1 Q07820 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ATM Q13315 1/20 0.38
MEN1 O00255 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TP53 P04637 2/20 0.36
HPGD P15428 1/20 0.36
APAF1 O14727 1/20 0.36
MITF O75030 1/20 0.36
SSTR5 P35346 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
SCHEMBL10317013 0.92 LMNA (0.37) LMNATSHRALDH1A1KDM4ETDP1
SCHEMBL3015657 0.85 MAPT (0.39) LMNATSHRALDH1A1KDM4ETDP1
SCHEMBL3019716 0.84 MAPT (0.39) LMNATSHRALDH1A1KDM4ETDP1
SCHEMBL3016482 0.82 ALDH1A1 (0.36) LMNATSHRALDH1A1KDM4EMAPT
SCHEMBL3021494 0.82 ALDH1A1 (0.36) LMNATSHRALDH1A1KDM4EMAPT
SCHEMBL3021173 0.77 ALDH1A1 (0.38) TSHRALDH1A1KDM4ETDP1MAPT
SCHEMBL3009256 0.77 TDP2 (0.34) ALDH1A1KDM4ETDP1MAPTKMT2A
SCHEMBL862555 0.76 CYP1A2 (0.44) LMNATSHRALDH1A1KDM4EMAPT
SCHEMBL13214427 0.74 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTKMT2ASMN1; SMN2
SCHEMBL3010135 0.74 MAPT (0.41) LMNATSHRALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2195310-B1 LUMINESCENT LANTHANIDE (III) CHELATES, CHELATING AGENTS AND CONJUGATES DERIVED THEREOF WALLAC OY (FI) 2016-06-01 EP disclosed
US-20100204442-A1 Luminescent lanthanide (III) chelates, chelating agents and conjugates derived thereof WALLAC OY (FI) 2010-08-12 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 (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-20100204442-A1 Luminescent lanthanide (III) chelates, chelating agents and conjugates derived thereof LNPEP, SLC39A3, LAP3 LMNA 1328/4885TSHR 668/4885ALDH1A1 4545/4885

“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.