SCHEMBL6547138

SCHEMBL6547138

CCC(CC)C[C@@H](C)OC(=O)c1ccc(-c2ccccc2)cc1.C[C@@H](OC(=O)c1ccc(C(=O)O)cc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.50
CD274 Q9NZQ7 1/20 0.50
RXRA P19793 4/20 0.44
RXRB P28702 4/20 0.44
RXRG P48443 1/20 0.44
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
MAPT P10636 3/20 0.41
BCL2 P10415 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
UTS2R Q9UKP6 1/20 0.39
GRIA4 P48058 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
EGFR P00533 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC1A5 Q15758 1/20 0.37
MCL1 Q07820 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL6547348 0.93 PDCD1 (0.57) PDCD1CD274RXRARXRBRXRG
SCHEMBL6546722 0.89 PDCD1 (0.40) PDCD1CD274RXRARXRBRXRG
SCHEMBL6546717 0.89 PDCD1 (0.45) PDCD1CD274MAPTESR1ESR2
SCHEMBL6563516 0.85 PDCD1 (0.48) PDCD1CD274RXRARXRBRXRG
SCHEMBL6549385 0.85 PDCD1 (0.54) PDCD1CD274RXRARXRBRXRG
SCHEMBL6867004 0.85 MMP2 (0.41) PDCD1CD274MAPTESR1ESR2
SCHEMBL6393405 0.84 ALDH1A1 (0.54) PDCD1CD274MAPT
SCHEMBL6389397 0.84 ALDH1A1 (0.54) PDCD1CD274MAPT
SCHEMBL6563509 0.82 PDCD1 (0.48) PDCD1CD274RXRARXRBMAPT
SCHEMBL6563502 0.82 PDCD1 (0.48) PDCD1CD274RXRARXRBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730371-B2 LIQUID CRYSTAL DISPLAY MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-05-04 US disclosed
EP-1249484-B1 Optically active compound and liquid crystal composition containing the compound MITSUBISHI GAS CHEMICAL CO (JP) 2004-01-28 EP disclosed
US-20030054119-A1 Optically active compound and liquid crystal composition containing the compound MITSUBISHI GAS CHEMICAL CO., INC. 2003-03-20 US disclosed
EP-1249484-A1 Optically active compound and liquid crystal composition containing the compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2002-10-16 EP 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-20030054119-A1 Optically active compound and liquid crystal composition containing the compound HDHD5, THOC2, TDO2 PDCD1 1767/4885CD274 2993/4885RXRA 3494/4885

“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.