SCHEMBL6855342

SCHEMBL6855342

CC(C)(C)CC(C)(C)c1cc(-c2cccc(C(F)(F)F)c2)c(O)c(-n2nc3ccc(C(F)(F)F)cc3n2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.36
DYRK2 Q92630 4/20 0.36
CCNA2 P20248 3/20 0.36
CDK2 P24941 3/20 0.36
CDK5 Q00535 3/20 0.36
CDK5R1 Q15078 3/20 0.36
DYRK1B Q9Y463 3/20 0.36
DYRK3 O43781 2/20 0.36
CCNT1 O60563 2/20 0.36
CDK9 P50750 2/20 0.36
KDM4E B2RXH2 5/20 0.34
HPGD P15428 2/20 0.34
ATM Q13315 1/20 0.34
CYP2C9 P11712 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
SCN9A Q15858 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 2/20 0.34

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 0.91 CNR1 (0.38) DYRK1ADYRK2CCNA2CDK2CDK5
SCHEMBL6863959 0.85 PTGDR2 (0.41) KDM4ECYP3A4TDP1MEN1KMT2A
SCHEMBL769323 0.83 SHBG (0.35) KDM4ECYP2C9CYP3A4CYP2D6HSD17B10
SCHEMBL7937976 0.83 MAT2A (0.34) PTPN5
SCHEMBL6855844 0.83 PDE2A (0.39) HSD17B10SMN1; SMN2MAPTALOX15
SCHEMBL6856099 0.82 NPC1 (0.43) KDM4EHPGDCYP2C9CYP3A4CYP2D6
SCHEMBL2638085 0.82 IDH1 (0.37) KDM4ECYP2C9CYP3A4CYP2D6HSD17B10
SCHEMBL7520346 0.82 NPC1 (0.33) KDM4ECYP2C9CYP3A4CYP2D6HSD17B10
SCHEMBL29357978 0.82 NPC1 (0.33) KDM4ECYP3A4CYP2D6
SCHEMBL225355 0.82 NPC1 (0.33) KDM4ECYP3A4CYP2D6

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 DYRK1A 1764/4885DYRK2 1718/4885CCNA2 455/4885

“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.