SCHEMBL31398730

SCHEMBL31398730

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

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.34
▸ MAOB P27338 3/20 0.31
▸ RORC P51449 1/20 0.31
▸ AR P10275 1/20 0.30
▸ CA9 Q16790 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
SCHEMBL23651261 1.00 ALDH1A1 (0.34) ALDH1A1MAOBRORCARCA9
SCHEMBL23636549 0.97 ALDH1A1 (0.36) ALDH1A1MAOBRORCARCA9
SCHEMBL23636552 0.88 ALDH1A1 (0.36) ALDH1A1MAOBRORCARCA9
SCHEMBL23651257 0.88 ALDH1A1 (0.35) ALDH1A1MAOBAR
SCHEMBL23651256 0.88 ALDH1A1 (0.36) ALDH1A1MAOBAR
SCHEMBL23636536 0.83 ALDH1A1 (0.35) ALDH1A1ARCA9
SCHEMBL23651249 0.83 ALDH1A1 (0.35) ALDH1A1ARCA9
SCHEMBL23636547 0.79 AR (0.43) ALDH1A1ARCA9
SCHEMBL31398729 0.79 AR (0.43) ALDH1A1ARCA9
SCHEMBL23651247 0.78 NT5E (0.39) ALDH1A1RORC

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
US-12360106-B2 Photochromic xanthene fluorophores and their utility in live-cell imaging beyond the diffraction limit HOWARD HUGHES MEDICAL INSTITUTE (US) 2025-07-15 — — US disclosed
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 (2 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-12360106-B2 Photochromic xanthene fluorophores and their utility in live-cell imaging beyond the diffraction limit XPA, KIF20A, KIF20B ALDH1A1 3894/4885MAOB 1719/4885RORC 3872/4885
US-20250012787-A1 Photochromic xanthene fluorophores and their utility in live-cell imaging beyond the diffraction limit XPA, KIF20A, KIF20B ALDH1A1 3914/4885MAOB 1751/4885RORC 3738/4885

“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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