SCHEMBL12379039

SCHEMBL12379039

CCCOc1c(C)cc(C(=O)O)c(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
HTT P42858 1/20 0.38
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
TP53 P04637 1/20 0.37
PDE10A Q9Y233 1/20 0.36
MEN1 O00255 4/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MCL1 Q07820 1/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
CYP2C9 P11712 1/20 0.35
IDO1 P14902 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CNR2 P34972 1/20 0.35
GAA P10253 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
SCHEMBL12379041 0.85 THRA (0.37) KMT2ATHRATHRBMEN1KDM4E
SCHEMBL28695808 0.80 SLC16A3 (0.43) KMT2AMEN1MCL1
SCHEMBL25435826 0.80 KMT2A (0.38) KMT2AHTTTHRATHRBTP53
SCHEMBL12379055 0.78 KDM4E (0.34) KMT2AHTTMEN1KDM4EALDH1A1
SCHEMBL27747426 0.77 KMT2A (0.44) KMT2AHTTTHRATHRBTP53
SCHEMBL9250462 0.77 THRA (0.48) THRATHRBTP53TSHR
SCHEMBL7089136 0.77 HSD17B10 (0.46) KMT2AMEN1KDM4EALDH1A1TDP1
SCHEMBL29912337 0.76 PLA2G2A (0.49) KMT2ATHRATHRBTP53MEN1
SCHEMBL29912197 0.76 PLA2G2A (0.49) KMT2ATHRATHRBTP53MEN1
SCHEMBL12379065 0.76 PTGER1 (0.53) KMT2AMEN1TDP1MCL1CYP2C9

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-7999136-B2 Amide compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-16 US disclosed
US-20100056640-A1 AMIDE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-03-04 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-20100056640-A1 AMIDE COMPOUND AND USE THEREOF NAT1, AGXT, HAX1 KMT2A 1450/4885HTT 4158/4885THRA 3385/4885

“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.