SCHEMBL6547277

SCHEMBL6547277

CCC(CC)C[C@@H](C)OC(=O)c1ccc(-c2ccc(C(=O)O)cc2-c2ccc(C(=O)O[C@H](C)CC(CC)CC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
SRD5A2 P31213 3/20 0.40
PTPN11 Q06124 1/20 0.39
PTPRC P08575 2/20 0.39
POLB P06746 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RARB P10826 2/20 0.38
PTGS2 P35354 1/20 0.38
FOLH1 Q04609 1/20 0.37

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
SCHEMBL6563509 0.96 PDCD1 (0.48) MAPTPDCD1CD274HCRTR1HCRTR2
SCHEMBL6563502 0.96 PDCD1 (0.48) MAPTPDCD1CD274HCRTR1HCRTR2
SCHEMBL6547284 0.96 MAPT (0.44) MAPTPDCD1CD274HCRTR1HCRTR2
SCHEMBL6388176 0.91 ALDH1A1 (0.46) MAPTPTPN11RARB
SCHEMBL6546722 0.91 PDCD1 (0.40) MAPTPDCD1CD274HCRTR1HCRTR2
SCHEMBL6390327 0.91 ALDH1A1 (0.46) MAPTPTPN11RARB
SCHEMBL6563516 0.90 PDCD1 (0.48) MAPTPDCD1CD274HCRTR1HCRTR2
SCHEMBL6390329 0.88 ALDH1A1 (0.46) MAPTHCRTR1HCRTR2PTPN11RARB
SCHEMBL6388182 0.88 ALDH1A1 (0.46) MAPTHCRTR1HCRTR2PTPN11RARB
SCHEMBL6564029 0.87 NPC1 (0.41) MAPTHCRTR1HCRTR2SRD5A2PTPN11

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 MAPT 559/4885PDCD1 1767/4885CD274 2993/4885

“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.