SCHEMBL2805618

SCHEMBL2805618

CCc1c(C(=O)O)cc(O)c2ccc(F)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.43
THRB P10828 1/20 0.42
KEAP1 Q14145 1/20 0.40
KDM4E B2RXH2 3/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
DHFR P00374 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
TTR P02766 1/20 0.39
ALB P02768 1/20 0.39
HMGB1 P09429 1/20 0.39
HPGD P15428 1/20 0.39
CXCL12 P48061 1/20 0.39
HIF1A Q16665 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39

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
SCHEMBL2810001 0.81 THRB (0.61) THRBKDM4EHSD17B10MEN1ALDH1A1
SCHEMBL14939042 0.76 KEAP1 (0.43) DHODHTHRBKEAP1KDM4ELMNA
SCHEMBL2805201 0.74 ALB (0.42) THRBLMNAHSD17B10MEN1ALDH1A1
SCHEMBL18508861 0.70 MAPT (0.38) KDM4ELMNAHSD17B10MEN1ALDH1A1
SCHEMBL65008 0.70 KEAP1 (0.50) KEAP1KDM4ELMNAHSD17B10MEN1
SCHEMBL39598 0.70 SELL (0.42) THRBKDM4ELMNAHSD17B10MEN1
SCHEMBL8576783 0.70 KEAP1 (0.55) KEAP1KDM4ELMNAHSD17B10MEN1
SCHEMBL3787270 0.68 PTPN1 (0.40) THRBKDM4EHSD17B10MEN1ALDH1A1
SCHEMBL10008324 0.68 CES2 (0.44) DHODHKEAP1KDM4ELMNAHSD17B10
Hydrochloric Acid SCHEMBL29118324 0.68 KEAP1 (0.48) KEAP1KDM4ELMNAHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 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-20100240644-A1 MORPHOLINE DERIVATIVE REN, AGTR1, AGTR2 DHODH 1412/4885THRB 717/4885KEAP1 1162/4885

“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.