SCHEMBL6546717

SCHEMBL6546717

CCC(CC)C[C@@H](C)OC(=O)c1ccc(-c2ccc(C(=O)Oc3ccc(C(=O)O[C@H](C)c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
MAPT P10636 7/20 0.41
ALDH1A1 P00352 2/20 0.40
PARP10 Q53GL7 1/20 0.39
KMT2A Q03164 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
PKM P14618 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL6547272 0.89 PDCD1 (0.44) PDCD1CD274MAPTALDH1A1KMT2A
SCHEMBL6547138 0.89 PDCD1 (0.50) PDCD1CD274MAPTESR1ESR2
SCHEMBL6548536 0.86 ELANE (0.44) PDCD1CD274MAPTKMT2ATDP1
SCHEMBL6549016 0.86 MAPT (0.47) MAPTALDH1A1PARP10KMT2ANPC1
SCHEMBL6561968 0.85 PRSS1 (0.44) PDCD1CD274MAPTALDH1A1KMT2A
SCHEMBL6561998 0.85 TP53 (0.46) PDCD1CD274MAPTALDH1A1KMT2A
SCHEMBL6867004 0.83 MMP2 (0.41) PDCD1CD274MAPTALDH1A1KMT2A
SCHEMBL6546722 0.83 PDCD1 (0.40) PDCD1CD274MAPTALDH1A1ESR1
SCHEMBL6387977 0.82 HSD17B10 (0.50) PDCD1CD274MAPTKMT2ATDP1
SCHEMBL13475918 0.82 MAPT (0.59) PDCD1CD274MAPTALDH1A1PARP10

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.