SCHEMBL3301299

SCHEMBL3301299

C=CCc1ccc(-c2ccccc2)cc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.59
GABRB2 P47870 3/20 0.59
ALOX5 P09917 2/20 0.52
AKR1B1 P15121 1/20 0.46
HNF4A P41235 2/20 0.44
ACMSD Q8TDX5 2/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.44
GABRB1 P18505 1/20 0.44
RXRA P19793 1/20 0.44
CNR1 P21554 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
CNR2 P34972 1/20 0.44
GABRA2 P47869 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
SIRT3 Q9NTG7 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
SCHEMBL2185735 0.86 GABRA1 (0.82) GABRA1GABRB2ALOX5AKR1B1HNF4A
SCHEMBL9195243 0.84 GABRA1 (0.85) GABRA1GABRB2ALOX5AKR1B1MEN1
SCHEMBL5406886 0.83 GABRA1 (0.55) GABRA1GABRB2ALOX5AKR1B1MEN1
SCHEMBL5306483 0.82 ALOX5 (0.52) ALOX5HNF4AACMSDMEN1GAA
2-Allylphenol SCHEMBL3748522 0.81 GABRA1 (0.62) GABRA1GABRB2ALOX5AKR1B1MEN1
SCHEMBL28541485 0.80 GABRA1 (0.47) GABRA1GABRB2ALOX5AKR1B1MEN1
SCHEMBL3924845 0.79 ALOX5 (0.57) ALOX5HNF4AACMSDMEN1GAA
SCHEMBL27889219 0.79 GABRA1 (0.56) GABRA1GABRB2ALOX5AKR1B1MEN1
SCHEMBL51661 0.79 ALOX5 (0.61) ALOX5HNF4AACMSDMEN1GAA
SCHEMBL29059236 0.77 ALOX5 (0.59) ALOX5HNF4AACMSDMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738661-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-22 US disclosed
US-20150266897-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2015-09-24 US disclosed
US-20100099695-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2010-04-22 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 (2 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-20100099695-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC GABRA1 4311/4885GABRB2 4252/4885ALOX5 2533/4885
US-20150266897-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC GABRA1 4311/4885GABRB2 4252/4885ALOX5 2533/4885

“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.