SCHEMBL12243991

SCHEMBL12243991

CC1(C)OC(=O)C(=C2Sc3c(O)c4c(c(O)c3S2)SC(=C2C(=O)OC(C)(C)OC2=O)S4)C(=O)O1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PTPN1 P18031 4/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP3A4 P08684 1/20 0.31
▸ ACP1 P24666 2/20 0.31
▸ CDC25B P30305 2/20 0.31

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
SCHEMBL21310186 0.84 ALDH1A1 (0.41) ALDH1A1CYP1A2NPC1TP53CYP2C19
SCHEMBL12221069 0.78 ALDH1A1 (0.36) ALDH1A1CYP1A2NPC1TP53CYP2C19
SCHEMBL12588717 0.74 KMT2A (0.47) ALDH1A1CYP1A2NPC1TP53CYP2C19
SCHEMBL12221251 0.69 PTGS2 (0.33) —
SCHEMBL14613098 0.68 TP53 (0.36) ALDH1A1CYP1A2NPC1TP53CYP2C19
SCHEMBL12221070 0.65 KDM4E (0.35) MAPT
SCHEMBL9730908 0.65 — —
SCHEMBL12221057 0.64 ALDH1A1 (0.37) ALDH1A1
SCHEMBL12033661 0.64 PTPN1 (0.42) ALDH1A1CYP1A2TP53CYP2C19PTPN1
SCHEMBL70825 0.63 PTPN1 (0.56) ALDH1A1CYP1A2NPC1TP53CYP2C19

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-8039532-B2 Heterocyclic compound, ultraviolet absorbent and composition containing the same FUJIFILM CORPORATION (JP) 2011-10-18 — — US disclosed
US-20100210762-A1 HETEROCYCLIC COMPOUND, ULTRAVIOLET ABSORBENT AND COMPOSITION CONTAINING THE SAME FUJIFILM CORPORATION (JP) 2010-08-19 — — 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-20100210762-A1 HETEROCYCLIC COMPOUND, ULTRAVIOLET ABSORBENT AND COMPOSITION CONTAINING THE SAME F12, F2, CYP24A1 ALDH1A1 1492/4885CYP1A2 294/4885NPC1 4417/4885

“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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