SCHEMBL6548286

SCHEMBL6548286

CCC(CC)C[C@@H](C)OC(=O)c1ccc(OC(=O)[C@H]2CC[C@H](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
ELANE P08246 2/20 0.47
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
MEN1 O00255 1/20 0.38
F2 P00734 1/20 0.37
ESR1 P03372 1/20 0.37
HIF1A Q16665 1/20 0.37
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL6562311 0.89 ELANE (0.39) ELANEKMT2AHTTSMN1; SMN2TDP1
SCHEMBL6548536 0.87 ELANE (0.44) ELANEKMT2AHTTSMN1; SMN2TDP1
SCHEMBL6549016 0.85 MAPT (0.47) KMT2AL3MBTL1TSHRLMNACYP1A2
SCHEMBL6393368 0.83 TSHR (0.44) ELANEKMT2ASMN1; SMN2POLBL3MBTL1
SCHEMBL6393362 0.83 TSHR (0.44) ELANEKMT2ASMN1; SMN2POLBL3MBTL1
SCHEMBL6547272 0.82 PDCD1 (0.44) KMT2ASMN1; SMN2L3MBTL1TSHRTP53
SCHEMBL6387977 0.80 HSD17B10 (0.50) ELANEKMT2ASMN1; SMN2TDP1L3MBTL1
SCHEMBL6547911 0.80 MAPT (0.42) KMT2ATDP1L3MBTL1TSHRMEN1
SCHEMBL12036573 0.78 TSHR (0.42) ELANEKMT2AHTTSMN1; SMN2TDP1
SCHEMBL10341104 0.78 TSHR (0.40) ELANEKMT2AHTTSMN1; SMN2TDP1

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 2874/4885KMT2A 3725/4885HTT 742/4885

“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.