SCHEMBL11937147

SCHEMBL11937147

Cc1ccc(/C=C/C(=O)c2cccc(O)c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 5/20 0.73
MAPT P10636 4/20 0.69
ALDH1A1 P00352 1/20 0.69
CYP3A4 P08684 1/20 0.69
HPGD P15428 1/20 0.69
POLB P06746 1/20 0.67
MAOA P21397 1/20 0.67
MAOB P27338 1/20 0.67
RAB9A P51151 1/20 0.67
NR1H4 Q96RI1 1/20 0.64
MEN1 O00255 1/20 0.64
LMNA P02545 1/20 0.64
TP53 P04637 1/20 0.64
KMT2A Q03164 1/20 0.64
ATM Q13315 1/20 0.64
ABCG2 Q9UNQ0 1/20 0.60
USP2 O75604 1/20 0.59
CYP1B1 Q16678 1/20 0.59
SLC5A1 P13866 1/20 0.59
SLC5A2 P31639 1/20 0.59

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
SCHEMBL9342715 1.00 P4HB (0.73) P4HBMAPTALDH1A1CYP3A4HPGD
SCHEMBL27276844 0.89 P4HB (0.79) P4HBMAPTCYP3A4MAOAMAOB
SCHEMBL9338027 0.87 MAPT (0.73) P4HBMAPTALDH1A1CYP3A4HPGD
SCHEMBL9390191 0.86 P4HB (0.71) P4HBMAOAMAOBNR1H4ABCG2
SCHEMBL9390190 0.86 P4HB (0.71) P4HBMAOAMAOBNR1H4ABCG2
SCHEMBL5593205 0.85 P4HB (0.79) P4HBMAPTCYP3A4MAOAMAOB
SCHEMBL6639007 0.85 P4HB (0.79) P4HBMAPTCYP3A4MAOAMAOB
SCHEMBL16806323 0.85 NR1H4 (0.65) P4HBMAPTALDH1A1POLBNR1H4
SCHEMBL25199667 0.84 CYP1B1 (0.69) P4HBMAPTALDH1A1CYP3A4HPGD
SCHEMBL8236049 0.84 P4HB (0.73) P4HBMAPTMAOAMAOBNR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120277252-A1 Antibacterial Agents and Methods of Use Thereof WISCONSIN ALUMNI RESEARCH FOUNDATION 2012-11-01 US disclosed
US-8227616-B2 Cyanopyridine antibacterial agents and methods of use thereof WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-07-24 US disclosed
US-20100261763-A1 ANTIBACTERIAL AGENTS AND METHODS OF USE THEREOF WISCONSIN ALUMNI RESEARCH FOUNDATION 2010-10-14 US disclosed
US-7737164-B2 Cyanopyridine antibacterial agents WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-06-15 US disclosed
US-20080009528-A1 ANTIBACTERIAL AGENTS AND RELATED SCREENING METHODS USING SMALL MOLECULE MACROARRAYS WISCONSIN ALUMNI RESEARCH FOUNDATION 2008-01-10 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 (3 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-20120277252-A1 Antibacterial Agents and Methods of Use Thereof FDPS, ABCG2, DUT P4HB 2360/4885MAPT 4708/4885ALDH1A1 1758/4885
US-20080009528-A1 ANTIBACTERIAL AGENTS AND RELATED SCREENING METHODS USING SMALL MOLECULE MACROARRAYS PCNA, ABCG2, API5 P4HB 3790/4885MAPT 4803/4885ALDH1A1 1754/4885
US-20100261763-A1 ANTIBACTERIAL AGENTS AND METHODS OF USE THEREOF FDPS, CYP3A5, ABCG2 P4HB 2537/4885MAPT 4715/4885ALDH1A1 1795/4885

“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.