SCHEMBL6549016

SCHEMBL6549016

CCC(CC)C[C@@H](C)OC(=O)c1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(C(=O)O[C@H](C)CC(CC)CC)cc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
PRSS1 P07477 4/20 0.42
ACR P10323 3/20 0.42
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
HSD17B10 Q99714 1/20 0.41
PARP10 Q53GL7 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 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
SCHEMBL6547272 0.96 PDCD1 (0.44) MAPTALDH1A1TSHRKMT2AL3MBTL1
SCHEMBL6547911 0.93 MAPT (0.42) MAPTALDH1A1TSHRKMT2AL3MBTL1
SCHEMBL6393368 0.91 TSHR (0.44) MAPTALDH1A1TSHRKMT2AL3MBTL1
SCHEMBL6393362 0.91 TSHR (0.44) MAPTALDH1A1TSHRKMT2AL3MBTL1
SCHEMBL6562063 0.91 TSHR (0.54) MAPTTSHRKMT2AL3MBTL1PRSS1
SCHEMBL6561998 0.91 TP53 (0.46) MAPTALDH1A1TSHRKMT2AL3MBTL1
SCHEMBL6561968 0.91 PRSS1 (0.44) MAPTALDH1A1TSHRKMT2AL3MBTL1
SCHEMBL6562379 0.88 MAPT (0.52) MAPTALDH1A1TSHRKMT2APRSS1
SCHEMBL6564025 0.88 MAPT (0.52) MAPTALDH1A1TSHRKMT2APRSS1
SCHEMBL6563522 0.88 MAPT (0.51) MAPTTSHRKMT2AL3MBTL1PRSS1

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 559/4885ALDH1A1 4758/4885TSHR 3567/4885

“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.