SCHEMBL6448529

SCHEMBL6448529

CC(=O)c1cc(Cl)cc(Br)c1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRA P10827 5/20 0.56
THRB P10828 5/20 0.56
MAOB P27338 5/20 0.50
DHODH Q02127 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
MAOA P21397 2/20 0.45
ESR1 P03372 1/20 0.45
NR3C1 P04150 1/20 0.45
PGR P06401 1/20 0.45
NR3C2 P08235 1/20 0.45
AR P10275 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PTGER1 P34995 1/20 0.44

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
SCHEMBL5919087 0.81 THRA (0.62) THRATHRBMAOBDHODHSMN1; SMN2
SCHEMBL28628175 0.77 THRA (0.54) THRATHRBDHODHSMN1; SMN2ESR1
SCHEMBL220153 0.77 MAOA (0.40) THRATHRBMAOBSMN1; SMN2MAOA
SCHEMBL4722050 0.76 PTGER1 (0.64) MAOBSMN1; SMN2MAPTCYP2C9CYP2C19
SCHEMBL29836110 0.76 PTGER1 (0.64) MAOBSMN1; SMN2MAPTCYP2C9CYP2C19
Hydrochloric Acid SCHEMBL8641749 0.76 SMN1; SMN2 (0.45) THRATHRBMAOBDHODHSMN1; SMN2
SCHEMBL22918087 0.76 MAOB (0.53) THRATHRBMAOBSMN1; SMN2MAOA
SCHEMBL29660966 0.76 MAOB (0.53) THRATHRBMAOBSMN1; SMN2MAOA
SCHEMBL29108936 0.75 THRA (0.66) THRATHRBDHODHSMN1; SMN2ESR1
SCHEMBL28035507 0.75 THRA (0.55) THRATHRBDHODHSMN1; SMN2MAPT

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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC THRA 3966/4885THRB 4083/4885MAOB 1228/4885

“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.