SCHEMBL6547272

SCHEMBL6547272

CCC(CC)C[C@@H](C)OC(=O)c1ccc(OC(=O)c2ccc(-c3ccc(C(=O)O[C@H](C)CC(CC)CC)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
MAPT P10636 5/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
THRB P10828 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.41
PRSS1 P07477 2/20 0.39
ACR P10323 2/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
HSD17B10 Q99714 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTRC Q99895 1/20 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
SCHEMBL6549016 0.96 MAPT (0.47) MAPTALDH1A1TSHRKMT2AL3MBTL1
SCHEMBL6561998 0.95 TP53 (0.46) PDCD1CD274MAPTALDH1A1TSHR
SCHEMBL6561968 0.95 PRSS1 (0.44) PDCD1CD274MAPTALDH1A1TSHR
SCHEMBL6387977 0.92 HSD17B10 (0.50) PDCD1CD274MAPTTSHRKMT2A
SCHEMBL6564025 0.92 MAPT (0.52) PDCD1CD274MAPTALDH1A1TSHR
SCHEMBL6562110 0.92 KMT2A (0.42) PDCD1CD274MAPTALDH1A1TSHR
SCHEMBL6563522 0.92 MAPT (0.51) MAPTTSHRKMT2ATHRBL3MBTL1
SCHEMBL6562379 0.92 MAPT (0.52) PDCD1CD274MAPTALDH1A1TSHR
SCHEMBL6390324 0.91 TSHR (0.45) MAPTALDH1A1TSHRKMT2ATHRB
SCHEMBL6388175 0.91 TSHR (0.45) MAPTALDH1A1TSHRKMT2ATHRB

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 2993/4885MAPT 559/4885

“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.