SCHEMBL3023711

SCHEMBL3023711

CCOc1ccc(-c2ccc(C=O)o2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
KDM4E B2RXH2 6/20 0.61
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
HSP90AA1 P07900 1/20 0.61
ALDH1A1 P00352 7/20 0.56
HPGD P15428 4/20 0.56
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
STAT1 P42224 1/20 0.55
TDP1 Q9NUW8 1/20 0.51
ERCC5 P28715 1/20 0.50
FEN1 P39748 1/20 0.50
POLB P06746 2/20 0.49
TP53 P04637 2/20 0.49
THRB P10828 1/20 0.48
NQO1 P15559 1/20 0.45
SUCNR1 Q9BXA5 1/20 0.44
RECQL P46063 1/20 0.43
CYP2E1 P05181 1/20 0.43

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
SCHEMBL2320172 0.81 KDM4E (0.61) MAPTKDM4ENPC1RAB9AHSP90AA1
SCHEMBL396870 0.80 ALDH1A1 (0.80) MAPTKDM4ENPC1RAB9AHSP90AA1
SCHEMBL8973988 0.80 KDM4E (0.59) MAPTKDM4ENPC1RAB9AHSP90AA1
SCHEMBL5638000 0.80 LSS (0.52) MAPTKDM4ENPC1RAB9AHSP90AA1
SCHEMBL8227421 0.79 KDM4E (0.50) MAPTKDM4ENPC1RAB9AHSP90AA1
SCHEMBL3023677 0.78 KDM4E (0.61) MAPTKDM4ENPC1RAB9AHSP90AA1
SCHEMBL3037639 0.77 KDM4E (0.56) MAPTKDM4ENPC1RAB9AHSP90AA1
SCHEMBL1787240 0.76 MAPT (1.00) MAPTKDM4ENPC1RAB9AHSP90AA1
SCHEMBL2318474 0.75 KDM4E (0.67) MAPTKDM4ENPC1RAB9AHSP90AA1
SCHEMBL3038241 0.75 KDM4E (0.57) MAPTKDM4ENPC1RAB9AHSP90AA1

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-8338465-B2 Cyclic carboxylic acid rhodanine derivatives for the treatment and prevention of tuberculosis CORNELL RESEARCH FOUNDATION, INC. (US) 2012-12-25 US disclosed
US-20100210577-A1 CYCLIC CARBOXYLIC ACID RHODANINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF TUBERCULOSIS CORNELL RESEARCH FOUNDATION, INC. 2010-08-19 US disclosed
WO-2008005651-A2 CYCLIC CARBOXYLIC ACID RHODANINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF TUBERCULOSIS DECODE CHEMISTRY, INC. (US) 2008-01-10 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-20100210577-A1 CYCLIC CARBOXYLIC ACID RHODANINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF TUBERCULOSIS RARG, SDHA, RARS2 MAPT 3973/4885KDM4E 4138/4885NPC1 2417/4885

“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.