SCHEMBL23651247

SCHEMBL23651247

O=C(NCCOCCOCCCCCCCl)OCCOCCOCCNC(=O)c1ccc2c(c1)C1(OC2=O)c2ccc(N3CCC3)cc2Oc2cc(N3CCC3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 2/20 0.39
▸ OPRM1 P35372 1/20 0.35
▸ RORC P51449 1/20 0.34
▸ TTR P02766 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ KCNH2 Q12809 3/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ TLR2 O60603 2/20 0.33
▸ PI4KB Q9UBF8 1/20 0.32
▸ DRD2 P14416 2/20 0.32
▸ DRD3 P35462 2/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ ITPR3 Q14573 1/20 0.32
▸ MMP14 P50281 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 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
SCHEMBL31398727 1.00 NT5E (0.39) NT5EOPRM1RORCTTRALDH1A1
SCHEMBL18526322 0.96 NT5E (0.41) NT5EOPRM1RORCTTRALDH1A1
SCHEMBL23917997 0.91 NT5E (0.33) NT5ETTRKCNH2
SCHEMBL18526325 0.88 NT5E (0.40) NT5EOPRM1RORCTTRALDH1A1
SCHEMBL30112567 0.87 NT5E (0.40) NT5EOPRM1RORCTTRSMN1; SMN2
SCHEMBL24942508 0.87 NT5E (0.40) NT5EOPRM1RORCTTRSMN1; SMN2
SCHEMBL18526372 0.86 OPRM1 (0.37) NT5EOPRM1ALDH1A1SMN1; SMN2USP2
SCHEMBL23651268 0.86 OPRM1 (0.35) NT5EOPRM1ALDH1A1SMN1; SMN2USP2
SCHEMBL24942980 0.85 NT5E (0.39) NT5EOPRM1RORCTTRALDH1A1
SCHEMBL30112650 0.85 NT5E (0.39) NT5EOPRM1RORCTTRALDH1A1

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-20210318293-A1 Photochromic xanthene fluorophores and their utility in live-cell imaging beyond the diffraction limit HOWARD HUGHES MEDICAL INSTITUTE (US) 2021-10-14 — — US disclosed
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 (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-11067566-B2 Photochromic xanthene fluorophores and their utility live-cell beyond the diffraction limit XPA, ANXA5, KIF20A NT5E 1453/4885OPRM1 4866/4885RORC 3731/4885
US-20210318293-A1 Photochromic xanthene fluorophores and their utility in live-cell imaging beyond the diffraction limit XPA, KIF20A, KIF20B NT5E 1651/4885OPRM1 4875/4885RORC 3872/4885

“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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