SCHEMBL9975762

SCHEMBL9975762

CC1CCC(C2=C(c3cc(C(C)(C)O)sc3C(=O)O)CCN(C)C2)CC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.32
PTGS2 P35354 1/20 0.32
HRH1 P35367 1/20 0.32
HTR3A P46098 1/20 0.32
PDE4D Q08499 1/20 0.32
NR1I2 O75469 2/20 0.31

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
SCHEMBL10382741 0.94 ADRA2C (0.32) ADRA2CPTGS2HRH1HTR3APDE4D
SCHEMBL10381889 0.94 ADRA2C (0.32) ADRA2CPTGS2HRH1HTR3APDE4D
SCHEMBL19397886 0.86 ADRA2C (0.34) ADRA2CPTGS2HRH1HTR3APDE4D
SCHEMBL10382029 0.85 RAF1 (0.32) NR1I2
SCHEMBL9941462 0.85 ADRA2C (0.33) ADRA2CPTGS2HRH1HTR3APDE4D
SCHEMBL9941479 0.84 NR1I2 (0.40) NR1I2
SCHEMBL10382630 0.84 RAF1 (0.41)
SCHEMBL9975714 0.83 NR1I2 (0.46) NR1I2
SCHEMBL9941407 0.83 NR1I2 (0.46) NR1I2
SCHEMBL10381852 0.82 ADRA2C (0.31) ADRA2CPTGS2HRH1HTR3APDE4D

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-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2012-07-19 US disclosed
WO-2012083105-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2012-06-21 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-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E ADRA2C 1014/4885PTGS2 2342/4885HRH1 1653/4885

“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.