SCHEMBL6863959

SCHEMBL6863959

COc1ccc(-c2cc(C(C)(C)CC(C)(C)C)cc(-n3nc4ccc(C(F)(F)F)cc4n3)c2O)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.41
KDM4E B2RXH2 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP3A4 P08684 1/20 0.35
NT5E P21589 1/20 0.35
MDH1 P40925 1/20 0.35
MDH2 P40926 1/20 0.35
DHFR P00374 2/20 0.34
PTGS2 P35354 2/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
GPR139 Q6DWJ6 1/20 0.33
CACNA1D Q01668 1/20 0.33
MAOB P27338 1/20 0.33
MC4R P32245 1/20 0.33
CSNK1D P48730 1/20 0.33

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
SCHEMBL6860748 0.90 CNR1 (0.38) KDM4ETDP1SMN1; SMN2RAB9ACSNK1D
SCHEMBL6855342 0.85 DYRK1A (0.36) KDM4ETDP1SMN1; SMN2CYP3A4MEN1
SCHEMBL6855844 0.84 PDE2A (0.39) PTGDR2ABCG2SMN1; SMN2PTGS2CSNK1D
SCHEMBL769323 0.81 SHBG (0.35) KDM4ECYP3A4MDH1MDH2RAB9A
SCHEMBL6856099 0.80 NPC1 (0.43) KDM4ESMN1; SMN2CYP3A4MDH1MDH2
SCHEMBL2638085 0.80 IDH1 (0.37) KDM4ESMN1; SMN2CYP3A4MDH1MDH2
SCHEMBL5643802 0.79 NPC1 (0.35) CYP3A4RAB9A
SCHEMBL7937976 0.79 MAT2A (0.34) RAB9A
SCHEMBL29184810 0.78 SHBG (0.33) KDM4EMDH1MDH2RAB9AMC4R
SCHEMBL29326687 0.77 TRPV1 (0.33) CYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6800676-B2 ULTRAVIOLET RADIATION ABSORBERS; HEAT AND OXIDATION RESISTANCE CIBA SPECIALTY CHEMICALS CORPORATION 2004-10-05 US claimed
US-20030004235-A1 Benzotriazoles containing phenyl groups substituted by heteroatoms and compositions stabilized therewith CIBA SPECIALTY CHEMICALS CORP. 2003-01-02 US claimed
US-6800676-B2 ULTRAVIOLET RADIATION ABSORBERS; HEAT AND OXIDATION RESISTANCE CIBA SPECIALTY CHEMICALS CORPORATION 2004-10-05 US disclosed
US-20030004235-A1 Benzotriazoles containing phenyl groups substituted by heteroatoms and compositions stabilized therewith CIBA SPECIALTY CHEMICALS CORP. 2003-01-02 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-20030004235-A1 Benzotriazoles containing phenyl groups substituted by heteroatoms and compositions stabilized therewith SUV39H1, SUV39H2, TPST2 PTGDR2 3234/4885KDM4E 343/4885TDP1 478/4885

“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.