SCHEMBL19042799

SCHEMBL19042799

C=C(C)C(=O)OCCNC(=O)OCc1cc(C2=C(c3c(C)n(CCCCCC)c4ccccc34)C(F)(F)C(F)(F)C2(F)F)c(C)s1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 14/20 0.34
▸ CNR1 P21554 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ PSEN1 P49768 2/20 0.33
▸ PSEN2 P49810 2/20 0.33
▸ APH1B Q8WW43 2/20 0.33
▸ NCSTN Q92542 2/20 0.33
▸ APH1A Q96BI3 2/20 0.33
▸ PSENEN Q9NZ42 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ SLC6A3 Q01959 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
SCHEMBL19042795 0.89 KDM4E (0.36) CNR2CNR1ALDH1A1HTTL3MBTL1
SCHEMBL19047258 0.88 ENPP2 (0.36) CNR2CNR1
SCHEMBL19047378 0.82 KDM4E (0.35) CNR2CNR1ALDH1A1HTTPSEN1
SCHEMBL19042794 0.81 LMNA (0.32) —
SCHEMBL19047375 0.74 KDM4E (0.35) CNR2CNR1ALDH1A1HTTPSEN1
SCHEMBL19047383 0.71 — —
SCHEMBL19042790 0.65 CNR2 (0.39) CNR2CNR1ALDH1A1SLC6A3
SCHEMBL9484194 0.62 FABP4 (0.51) HTTPSEN1PSEN2APH1BNCSTN
SCHEMBL19047374 0.62 THRB (0.32) —
SCHEMBL27151560 0.60 FABP4 (0.51) CNR2HTT

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-11013669-B2 Dental materials with light-induced reversible coloring IVOCLAR VIVADENT AG (LI) 2021-05-25 — — US disclosed
WO-2017108456-A1 DENTAL MATERIALS HAVING A LIGHT-INDUCED REVERSIBLE COLORING IVOCLAR VIVADENT AG (LI) 2017-06-29 — — WO 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-11013669-B2 Dental materials with light-induced reversible coloring CRY1, IK, MAP1LC3A CNR2 4427/4885CNR1 3951/4885ALDH1A1 371/4885

“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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