SCHEMBL6856099

SCHEMBL6856099

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SHBG P04278 1/20 0.35
MAPT P10636 3/20 0.34
CYP3A4 P08684 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
USP2 O75604 1/20 0.34
ESR1 P03372 1/20 0.34
TP53 P04637 1/20 0.34
PGR P06401 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
AR P10275 1/20 0.34
DRD1 P21728 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A2 P23975 1/20 0.34
PDE4A P27815 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
SLC6A4 P31645 1/20 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
SCHEMBL769323 0.88 SHBG (0.35) NPC1RAB9ASHBGCYP3A4KDM4E
SCHEMBL2638085 0.87 IDH1 (0.37) NPC1RAB9ASHBGMAPTCYP3A4
SCHEMBL18375043 0.86 NPC1 (0.59) NPC1RAB9ASHBGMAPTCYP3A4
SCHEMBL29184810 0.85 SHBG (0.33) NPC1RAB9ASHBGKDM4EMDH1
SCHEMBL769339 0.84 LMNA (0.41) NPC1RAB9ASHBGMAPTCYP3A4
SCHEMBL29356858 0.84 LMNA (0.41) NPC1RAB9ASHBGMAPTCYP3A4
SCHEMBL28526450 0.83 LMNA (0.35) NPC1RAB9ASHBGMAPTCYP3A4
SCHEMBL6855342 0.82 DYRK1A (0.36) MAPTCYP3A4MEN1KMT2ASMN1; SMN2
SCHEMBL7520346 0.82 NPC1 (0.33) NPC1RAB9ASHBGCYP3A4KDM4E
SCHEMBL29357978 0.82 NPC1 (0.33) NPC1RAB9ASHBGCYP3A4KDM4E

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 NPC1 4353/4885RAB9A 4479/4885SHBG 2899/4885

“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.