SCHEMBL6547284

SCHEMBL6547284

CCC(CC)C[C@@H](C)OC(=O)c1ccc(-c2cc(C(=O)O[C@H](C)CC(CC)CC)ccc2-c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
SRD5A2 P31213 3/20 0.41
RXRA P19793 4/20 0.40
RXRB P28702 3/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
PTGS2 P35354 1/20 0.40
FOLH1 Q04609 1/20 0.39
PTPN11 Q06124 1/20 0.39
BCL2 P10415 1/20 0.38
EGFR P00533 1/20 0.38
RARB P10826 1/20 0.37
GRIA4 P48058 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 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
SCHEMBL6547277 0.96 MAPT (0.42) MAPTHCRTR1HCRTR2SRD5A2RXRA
SCHEMBL6563502 0.93 PDCD1 (0.48) MAPTHCRTR1HCRTR2SRD5A2RXRA
SCHEMBL6563509 0.93 PDCD1 (0.48) MAPTHCRTR1HCRTR2SRD5A2RXRA
SCHEMBL6390329 0.91 ALDH1A1 (0.46) MAPTHCRTR1HCRTR2PTPN11RARB
SCHEMBL6388182 0.91 ALDH1A1 (0.46) MAPTHCRTR1HCRTR2PTPN11RARB
SCHEMBL6563516 0.91 PDCD1 (0.48) MAPTHCRTR1HCRTR2SRD5A2RXRA
SCHEMBL6564029 0.89 NPC1 (0.41) MAPTHCRTR1HCRTR2SRD5A2RXRA
SCHEMBL6547940 0.88 HCRTR1 (0.39) MAPTHCRTR1HCRTR2SRD5A2RXRA
SCHEMBL6388176 0.88 ALDH1A1 (0.46) MAPTPTPN11RARBALDH1A1
SCHEMBL6546722 0.88 PDCD1 (0.40) MAPTHCRTR1HCRTR2SRD5A2RXRA

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 559/4885HCRTR1 281/4885HCRTR2 238/4885

“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.