SCHEMBL6860459

SCHEMBL6860459

COc1ccc(C(C)(C)c2ccc(O)c(C(C)(C)c3ccc(OC)cc3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.48
ALDH1A1 P00352 4/20 0.44
GAA P10253 2/20 0.44
KLF10 Q13118 1/20 0.43
ESR2 Q92731 2/20 0.42
ALOX15 P16050 3/20 0.41
ALOX12 P18054 1/20 0.41
NQO2 P16083 1/20 0.41
RELA Q04206 1/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP3A4 P08684 1/20 0.41
AR P10275 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR6 P50406 1/20 0.41
ESRRG P62508 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MAPT P10636 2/20 0.41

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
SCHEMBL6856421 0.92 ALDH1A1 (0.48) ESR1ALDH1A1GAAALOX15NQO2
SCHEMBL18494 0.82 ESR1 (0.64) ESR1ALDH1A1GAAKLF10ESR2
SCHEMBL6444013 0.81 ALDH1A1 (0.50) ESR1ALDH1A1GAAESR2ALOX15
SCHEMBL14253451 0.81 CA12 (0.44) ALDH1A1GAAMAPTSMN1; SMN2MEN1
SCHEMBL10719742 0.80 ESR1 (0.59) ESR1ALDH1A1GAAKLF10ESR2
SCHEMBL29547368 0.80 ESR1 (0.59) ESR1ALDH1A1KLF10ESR2ALOX15
SCHEMBL745012 0.80 ESR1 (0.59) ESR1ALDH1A1KLF10ESR2ALOX15
SCHEMBL83852 0.79 CA1 (0.61) ESR1ALDH1A1GAAESR2ALOX15
SCHEMBL10112753 0.79 CA1 (0.61) ESR1ALDH1A1GAAESR2ALOX15
SCHEMBL25986528 0.79 CA1 (0.61) ESR1ALDH1A1GAAESR2ALOX15

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 5 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 disclosed
EP-1305297-A1 BENZOTRIAZOLES CONTAINING ALPHA-CUMYL GROUPS SUBSTITUTED BY HETEROATOMS AND COMPOSITIONS STABILIZED THEREWITH Ciba SC Holding AG (CH) 2003-05-02 EP disclosed
US-20030004235-A1 Benzotriazoles containing phenyl groups substituted by heteroatoms and compositions stabilized therewith CIBA SPECIALTY CHEMICALS CORP. 2003-01-02 US disclosed
US-6451887-B1 Benzotriazoles containing α-cumyl groups substituted by heteroatoms and compositions stabilized therewith CIBA SPECIALTY CHEMICALS CORPORATION 2002-09-17 US disclosed
WO-2002012205-A1 BENZOTRIAZOLES CONTAINING α-CUMYL GROUPS SUBSTITUTED BY HETEROATOMS AND COMPOSITIONS STABILIZED THEREWITH CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-02-14 WO 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 ESR1 2067/4885ALDH1A1 831/4885GAA 2317/4885

“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.