SCHEMBL31398729

SCHEMBL31398729

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 5/20 0.43
▸ ALDH1A1 P00352 3/20 0.39
▸ MAP2K1 Q02750 1/20 0.36
▸ HSD17B3 P37058 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ AGER Q15109 1/20 0.34
▸ TLR9 Q9NR96 2/20 0.34
▸ PABPC1 P11940 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA9 Q16790 1/20 0.32

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
SCHEMBL23636547 1.00 AR (0.43) ARALDH1A1MAP2K1HSD17B3KMT2A
SCHEMBL23636541 0.90 ALDH1A1 (0.36) ARALDH1A1MAP2K1HSD17B3KMT2A
SCHEMBL23651240 0.90 AR (0.42) ARALDH1A1MAP2K1HSD17B3KMT2A
SCHEMBL23651239 0.90 AR (0.42) ARALDH1A1MAP2K1HSD17B3KMT2A
SCHEMBL23636552 0.84 ALDH1A1 (0.36) ARALDH1A1MAP2K1KMT2AAGER
SCHEMBL23636536 0.84 ALDH1A1 (0.35) ARALDH1A1MAP2K1HSD17B3KMT2A
SCHEMBL23651249 0.84 ALDH1A1 (0.35) ARALDH1A1MAP2K1HSD17B3KMT2A
SCHEMBL23636531 0.83 CA12 (0.40) ARALDH1A1HSD17B3KMT2ATLR9
SCHEMBL23636549 0.82 ALDH1A1 (0.36) ARALDH1A1KMT2AAGERCA9
SCHEMBL31398730 0.79 ALDH1A1 (0.34) ARALDH1A1CA9

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-20250012787-A1 Photochromic xanthene fluorophores and their utility in live-cell imaging beyond the diffraction limit HOWARD HUGHES MEDICAL INSTITUTE (US) 2025-01-09 — — 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-20250012787-A1 Photochromic xanthene fluorophores and their utility in live-cell imaging beyond the diffraction limit XPA, KIF20A, KIF20B AR 4880/4885ALDH1A1 3914/4885MAP2K1 4794/4885

“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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