SCHEMBL10236232

SCHEMBL10236232

CC(C)(C)c1ccc(-c2cc3ncccc3o2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
GFER P55789 1/20 0.43
KIF11 P52732 2/20 0.41
TRPV1 Q8NER1 3/20 0.40
GRM4 Q14833 1/20 0.40
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2E1 P05181 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL10236271 0.81 CHRM2 (0.40) KDM4EALDH1A1KMT2ACHRM2CHRM4
SCHEMBL9430009 0.80 CYP1B1 (0.50) KDM4EALDH1A1KMT2ACHRM2CHRM4
SCHEMBL14542315 0.80 CHRM2 (0.46) KDM4EALDH1A1CHRM2CHRM4CHRM5
SCHEMBL4142273 0.80 MAOB (0.56) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL10279116 0.79 QPCT (0.43) KDM4EALDH1A1KMT2ACHRM2CHRM4
SCHEMBL28428414 0.78 CHRM2 (0.55) KDM4EALDH1A1KMT2ACHRM2CHRM4
SCHEMBL11827981 0.74 MAOB (0.62) KDM4EALDH1A1KMT2ANPC1RAB9A
SCHEMBL12150275 0.74 CHRNB2 (0.42) KDM4EALDH1A1CHRM2CHRM4CHRM5
SCHEMBL10236275 0.74 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1458752 0.73 LIPG (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193372-B2 Phosphothiophene and phosphothiazole HCV polymerase inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2012-06-05 US disclosed
US-20100233123-A1 PHOSPHOTHIOPHENE AND PHOSPHOTHIAZOLE HCV POLYMERASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-09-16 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-20100233123-A1 PHOSPHOTHIOPHENE AND PHOSPHOTHIAZOLE HCV POLYMERASE INHIBITORS PPP3CB, POLR2E, PSAT1 KDM4E 2286/4885ALDH1A1 1224/4885KMT2A 2101/4885

“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.