SCHEMBL1950706

SCHEMBL1950706

Cc1c(CO)cccc1OCC(=O)OC(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 5/20 0.49
TSHR P16473 4/20 0.49
HPGD P15428 4/20 0.49
HSD17B10 Q99714 4/20 0.49
MAPK1 P28482 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
STAT3 P40763 1/20 0.49
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ESR1 P03372 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38

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
SCHEMBL7994085 0.84 MAPK1 (0.46) KDM4EALDH1A1MAPK1MEN1KMT2A
SCHEMBL7654284 0.80 L3MBTL1 (0.55) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL7104442 0.80 DDB1 (0.52) KDM4EALDH1A1TSHRHPGDHSD17B10
SCHEMBL7963575 0.75 PDCD1 (0.43) KDM4EALDH1A1MAPK1MEN1KMT2A
SCHEMBL16958368 0.75 PDCD1 (0.46) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL21381349 0.74 MAPT (0.49) KDM4EALDH1A1TSHRMEN1KMT2A
SCHEMBL2354192 0.73 PDCD1 (0.47) KDM4EALDH1A1MAPK1MEN1KMT2A
SCHEMBL17156171 0.73 MAPT (0.55) KDM4EALDH1A1TSHRHPGDHSD17B10
SCHEMBL1949598 0.72 PTGDR2 (0.46) KDM4EALDH1A1TSHRHPGDHSD17B10
SCHEMBL2714960 0.71 PDCD1 (0.42) KDM4EMAPK1MEN1KMT2AMAPT

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-20110136801-A1 Novel Compounds DAINIPPON SUMITOMO PHARMA CO. LTD. (JP) 2011-06-09 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-20110136801-A1 Novel Compounds C1R, RB1, CNKSR1 KDM4E 3006/4885ALDH1A1 173/4885TSHR 185/4885

“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.