SCHEMBL2690874

SCHEMBL2690874

CC(C)(C)OC(=O)c1ccc(COC(=O)CC(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
RAB9A P51151 3/20 0.48
KMT2A Q03164 6/20 0.46
MEN1 O00255 3/20 0.46
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
SYK P43405 1/20 0.44
GAA P10253 3/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PKM P14618 1/20 0.43
LMNA P02545 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA12 O43570 1/20 0.41

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
SCHEMBL20954296 0.88 KMT2A (0.46) MAPTRAB9AKMT2AMEN1ALDH1A1
SCHEMBL15716142 0.83 CYP4A11 (0.44) MAPTRAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL24848155 0.80 KMT2A (0.69) MAPTRAB9AKMT2AMEN1ALDH1A1
SCHEMBL28946325 0.80 ALDH1A1 (0.51) MAPTRAB9AKMT2AMEN1ALDH1A1
SCHEMBL9099162 0.80 CYP17A1 (0.52) MAPTRAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL21360453 0.79 KMT2A (0.57) MAPTRAB9AKMT2AMEN1ALDH1A1
SCHEMBL4562895 0.79 ELANE (0.49) MAPTRAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL21557047 0.78 CA1 (0.47) MAPTRAB9AKMT2AMEN1ALDH1A1
SCHEMBL1000794 0.78 NR1H4 (0.49) ALDH1A1GAAHPGDTSHRHSD17B10
SCHEMBL8983815 0.77 KMT2A (0.50) MAPTRAB9AKMT2AMEN1ALDH1A1

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-8168821-B2 Cyclopropylacetic acid derivatives and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-01 US disclosed
US-20090286882-A1 Cyclopropylacetic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2009-11-19 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-20090286882-A1 Cyclopropylacetic Acid Derivatives and Use Thereof PCCA, PPP2CA, HMGCR MAPT 3539/4885RAB9A 3140/4885KMT2A 4509/4885

“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.