SCHEMBL23651249

SCHEMBL23651249

NC(=O)CCCCCCCNC(=O)c1ccc2c(c1)C1(c3ccc(N4CCC4)cc3Oc3cc(N4CCC4)ccc31)N(c1ccc3c(C(F)(F)F)cc(=O)oc3c1)C2=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ HDAC3 O15379 5/20 0.34
▸ HDAC1 Q13547 4/20 0.34
▸ DPP4 P27487 1/20 0.32
▸ AR P10275 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ MAP2K1 Q02750 1/20 0.31
▸ TLR9 Q9NR96 2/20 0.30
▸ PABPC1 P11940 1/20 0.30
▸ HSD17B3 P37058 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ SRC P12931 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ CASP1 P29466 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
SCHEMBL23636536 0.95 ALDH1A1 (0.35) ALDH1A1HDAC3HDAC1ARDRD2
SCHEMBL23636549 0.86 ALDH1A1 (0.36) ALDH1A1ARKMT2AAGERCA9
SCHEMBL23636552 0.86 ALDH1A1 (0.36) ALDH1A1ARKMT2AMAP2K1TLR9
SCHEMBL31398729 0.84 AR (0.43) ALDH1A1ARKMT2AMAP2K1TLR9
SCHEMBL23636547 0.84 AR (0.43) ALDH1A1ARKMT2AMAP2K1TLR9
SCHEMBL31398730 0.83 ALDH1A1 (0.34) ALDH1A1ARCA9
SCHEMBL23651261 0.83 ALDH1A1 (0.34) ALDH1A1ARCA9
SCHEMBL23636541 0.80 ALDH1A1 (0.36) ALDH1A1ARKMT2AMAP2K1TLR9
SCHEMBL23651257 0.78 ALDH1A1 (0.35) ALDH1A1AR
SCHEMBL23651256 0.78 ALDH1A1 (0.36) ALDH1A1ARKMT2AKDM4EMEN1

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-11067566-B2 Photochromic xanthene fluorophores and their utility live-cell beyond the diffraction limit HOWARD HUGHES MEDICAL INSTITUTE (US) 2021-07-20 — — 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-11067566-B2 Photochromic xanthene fluorophores and their utility live-cell beyond the diffraction limit XPA, ANXA5, KIF20A ALDH1A1 3826/4885HDAC3 3112/4885HDAC1 4057/4885

“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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