SCHEMBL6547169

SCHEMBL6547169

CCC(CC)C[C@@H](C)OC(=O)c1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(C(=O)O[C@H](C)CC(CC)CC)c(F)c3)cc2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
PRSS1 P07477 1/20 0.39
TMPRSS15 P98073 1/20 0.39
TSHR P16473 1/20 0.36
ELANE P08246 1/20 0.36
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 3/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL6547930 0.96 MAPT (0.37) ALDH1A1KMT2APRSS1TMPRSS15TSHR
SCHEMBL6563804 0.92 KMT2A (0.37) ALDH1A1KMT2APRSS1TMPRSS15TSHR
SCHEMBL6562349 0.90 MAPT (0.42) KMT2APRSS1TMPRSS15MAPT
SCHEMBL6563555 0.85 CYP2C9 (0.43) ALDH1A1KMT2APRSS1TMPRSS15TSHR
SCHEMBL6549016 0.83 MAPT (0.47) ALDH1A1KMT2APRSS1TSHRCCNC
SCHEMBL6547027 0.81 CA12 (0.46) ALDH1A1
SCHEMBL6547031 0.81 CA12 (0.46) ALDH1A1
SCHEMBL9626606 0.80 NPC1 (0.51) KMT2APRSS1TSHRMAPTPOLB
SCHEMBL6547911 0.80 MAPT (0.42) ALDH1A1KMT2APRSS1TSHRCCNC
SCHEMBL6547272 0.80 PDCD1 (0.44) ALDH1A1KMT2APRSS1TSHRCCNC

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 ALDH1A1 4758/4885KMT2A 3725/4885PRSS1 4163/4885

“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.