SCHEMBL23636591

SCHEMBL23636591

CCCCOc1cc(-n2nc3ccc(SCC(O)CO)cc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
VCAM1 P19320 1/20 0.33
MAPK14 Q16539 1/20 0.32
CNR2 P34972 5/20 0.30
CNR1 P21554 4/20 0.30
ALOX15 P16050 2/20 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
SCHEMBL23636580 0.94 VCAM1 (0.33) VCAM1ALOX15
SCHEMBL23636598 0.86 MAPK14 (0.34) MAPK14
SCHEMBL23636556 0.84 MEN1 (0.37) VCAM1MAPK14
SCHEMBL23636557 0.82 MAPK14 (0.37) CYP3A4CYP2C9CYP2C19VCAM1MAPK14
SCHEMBL23636572 0.82 VCAM1 (0.33) VCAM1
SCHEMBL23636568 0.81 PTGS2 (0.33) VCAM1
SCHEMBL23636583 0.80 PTGS2 (0.35)
SCHEMBL21586951 0.79 PDE2A (0.35) CNR1
SCHEMBL24914000 0.78 VCAM1 (0.30) VCAM1
SCHEMBL21586950 0.77 NR1I2 (0.33) MAPK14

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-20210214321-A1 NOVEL REACTIVE BENZOTRIAZOLE UV ABSORBER AND USE THEREOF EVERLIGHT CHEMICAL INDUSTRIAL CORPORATION (TW) 2021-07-15 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-20210214321-A1 NOVEL REACTIVE BENZOTRIAZOLE UV ABSORBER AND USE THEREOF SULT1A1, XDH, SULT2A1 CYP3A4 86/4885CYP2C9 266/4885CYP2C19 270/4885

“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.