SCHEMBL10137786

SCHEMBL10137786

Cc1cc(CC(=O)C(C)C)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.41
RXRA P19793 3/20 0.38
RXRB P28702 3/20 0.38
RXRG P48443 3/20 0.38
IDH1 O75874 1/20 0.38
EPHX1 P07099 2/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
CYP2D6 P10635 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
MAPT P10636 1/20 0.36
AGBL2 Q5U5Z8 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GRIN2B Q13224 1/20 0.35

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
SCHEMBL10174291 0.90 TACR1 (0.48) TACR1RXRARXRBRXRGEPHX1
SCHEMBL14791168 0.86 TACR1 (0.39) TACR1RXRARXRBRXRGIDH1
SCHEMBL10137772 0.82 TPMT (0.38) TACR1IDH1EPHX1ALDH1A1
SCHEMBL29927941 0.81 RXRA (0.54) TACR1RXRARXRBRXRGMRGPRX4
SCHEMBL12301741 0.81 TACR1 (0.40) TACR1RXRARXRBRXRGIDH1
SCHEMBL17147284 0.81 RXRA (0.54) TACR1RXRARXRBRXRGMRGPRX4
SCHEMBL22774254 0.80 TACR1 (0.40) TACR1RXRARXRBRXRGIDH1
SCHEMBL30875890 0.80 GRIN2B (0.43) TACR1RXRARXRBRXRGIDH1
SCHEMBL29927377 0.79 PSEN1 (0.40) TACR1RXRARXRBRXRGIDH1
SCHEMBL10174292 0.77 HTR2A (0.57) EPHX1MAPTALDH1A1

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-RE43298-E1 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2011-05-19 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-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP TACR1 1070/4885RXRA 4631/4885RXRB 4530/4885

“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.