SCHEMBL24240040

SCHEMBL24240040

CCN(CC)c1ccc2cc(-c3cc4ccc(C(=O)NC(CNC(=O)C5=C/C=C\C=C/C=C\5)C(=O)N(CCCC(=O)O)CCCS(=O)(=O)O)cc4o3)c(=O)oc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ USP2 O75604 3/20 0.36
▸ LMNA P02545 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ CASP1 P29466 2/20 0.36
▸ CASP7 P55210 2/20 0.36
▸ ATM Q13315 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ CCKBR P32239 3/20 0.35
▸ CYP19A1 P11511 2/20 0.35
▸ SRD5A1 P18405 3/20 0.34
▸ SRD5A2 P31213 3/20 0.34
▸ NR1H4 Q96RI1 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL24240039 0.91 MAPT (0.36) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL23419323 0.75 MAPT (0.44) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL24240023 0.75 ITGB3 (0.33) SRD5A1SRD5A2
SCHEMBL27215643 0.74 AKR1B10 (0.34) TP53SRD5A1SRD5A2POLB
SCHEMBL23419400 0.73 MAPT (0.42) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL26385373 0.72 CCKBR (0.33) LMNAHSD17B10CCKBR
SCHEMBL23453249 0.72 CCKBR (0.31) LMNAHSD17B10CCKBR
SCHEMBL23419154 0.72 CCKBR (0.30) CCKBR
SCHEMBL25997626 0.71 CCKBR (0.31) LMNAHSD17B10CCKBR
SCHEMBL24240022 0.71 STS (0.34) MAPTMEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220033900-A1 SUBSTITUTED COUMARIN DYES AND USES AS FLUORESCENT LABELS ILLUMINA CAMBRIDGE LIMITED (GB) 2022-02-03 — — 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-20220033900-A1 SUBSTITUTED COUMARIN DYES AND USES AS FLUORESCENT LABELS FBL, DUT, PHAX MAPT 3065/4885MEN1 4353/4885KMT2A 3586/4885

“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.

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