SCHEMBL6548536

SCHEMBL6548536

CCC(CC)C[C@@H](C)OC(=O)c1ccc(-c2ccc(OC(=O)[C@H]3CC[C@H](C(=O)O[C@H](C)c4ccccc4)CC3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.44
POLB P06746 2/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
MAPT P10636 2/20 0.36
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 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
SCHEMBL6548286 0.87 ELANE (0.47) ELANEPOLBLMNACYP1A2CYP2D6
SCHEMBL6546717 0.86 PDCD1 (0.45) POLBPDCD1CD274MAPTTP53
SCHEMBL6562311 0.83 ELANE (0.39) ELANEPOLBPDCD1CD274LMNA
SCHEMBL6547138 0.80 PDCD1 (0.50) PDCD1CD274MAPTSMN1; SMN2L3MBTL1
SCHEMBL6547272 0.78 PDCD1 (0.44) PDCD1CD274MAPTTP53TSHR
SCHEMBL6387977 0.76 HSD17B10 (0.50) ELANEPDCD1CD274LMNAMAPT
SCHEMBL6547348 0.74 PDCD1 (0.57) PDCD1CD274MAPTSMN1; SMN2L3MBTL1
SCHEMBL6867004 0.74 MMP2 (0.41) POLBPDCD1CD274LMNACYP1A2
SCHEMBL6546722 0.74 PDCD1 (0.40) PDCD1CD274SCN1ASCN2ASCN3A
SCHEMBL6549016 0.74 MAPT (0.47) LMNACYP1A2CYP2D6MAPTTSHR

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 ELANE 2874/4885POLB 1259/4885PDCD1 1767/4885

“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.