SCHEMBL6549385

SCHEMBL6549385

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

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.54
CD274 Q9NZQ7 1/20 0.54
RXRA P19793 4/20 0.47
RXRB P28702 4/20 0.47
BCL2 P10415 1/20 0.47
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
EGFR P00533 3/20 0.42
SLC1A5 Q15758 1/20 0.42
KDM4E B2RXH2 1/20 0.41
UTS2R Q9UKP6 1/20 0.41
HPGD P15428 1/20 0.41
RXRG P48443 1/20 0.40

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 0.86 PDCD1 (0.57) PDCD1CD274RXRARXRBBCL2
SCHEMBL6547138 0.85 PDCD1 (0.50) PDCD1CD274RXRARXRBBCL2
SCHEMBL6227986 0.81 MAPT (0.57) PDCD1CD274RXRARXRBMAPT
SCHEMBL28001194 0.80 ALDH1A1 (0.44) MAPT
SCHEMBL560460 0.79 TSHR (0.53) PDCD1CD274SMN1; SMN2
SCHEMBL14690351 0.79 TSHR (0.53) PDCD1CD274SMN1; SMN2
SCHEMBL12393850 0.79 PDCD1 (0.55) PDCD1CD274MAPTSMN1; SMN2L3MBTL1
SCHEMBL6563516 0.79 PDCD1 (0.48) PDCD1CD274RXRARXRBBCL2
SCHEMBL6393405 0.78 ALDH1A1 (0.54) PDCD1CD274MAPT
SCHEMBL6389397 0.78 ALDH1A1 (0.54) PDCD1CD274MAPT

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.