SCHEMBL5469285

SCHEMBL5469285

CCCCC(CC)COc1ccc(C(=O)OC)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
LMNA P02545 3/20 0.55
CYP3A4 P08684 2/20 0.55
HSD17B10 Q99714 1/20 0.55
MAPT P10636 3/20 0.54
TSHR P16473 2/20 0.52
MAPK1 P28482 1/20 0.52
GAA P10253 1/20 0.52
CA2 P00918 2/20 0.51
RAB9A P51151 3/20 0.49
TDP1 Q9NUW8 1/20 0.48
MGLL Q99685 1/20 0.48
NPC1 O15118 2/20 0.47
CASP1 P29466 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA1 P00915 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46

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
SCHEMBL2850156 0.87 ALDH1A1 (0.52) ALDH1A1LMNACYP3A4HSD17B10MAPT
SCHEMBL10798965 0.86 ALDH1A1 (0.53) ALDH1A1LMNACYP3A4HSD17B10TSHR
SCHEMBL13321344 0.86 ALDH1A1 (0.49) ALDH1A1LMNACYP3A4HSD17B10TSHR
SCHEMBL2601871 0.86 LMNA (0.58) ALDH1A1LMNACYP3A4HSD17B10MAPT
SCHEMBL5471637 0.86 PLA2G4B (0.60) ALDH1A1LMNACYP3A4HSD17B10TSHR
SCHEMBL15890908 0.86 ALDH1A1 (0.73) ALDH1A1LMNACYP3A4HSD17B10MAPT
SCHEMBL12112442 0.84 TSHR (0.56) ALDH1A1LMNAMAPTTSHRGAA
SCHEMBL4653601 0.84 PARP10 (0.55) ALDH1A1LMNACYP3A4HSD17B10TSHR
SCHEMBL5472176 0.84 ALDH1A1 (0.50) ALDH1A1LMNACYP3A4HSD17B10MAPT
SCHEMBL12606083 0.84 ALDH1A1 (0.51) ALDH1A1LMNACYP3A4HSD17B10TSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501037-B2 Optically anisotropic compound and resin composition comprising the same LG CHEM, LTD. (KR) 2013-08-06 US disclosed
US-8501037-B2 Optically anisotropic compound and resin composition comprising the same LG CHEM, LTD. (KR) 2013-08-06 US disclosed
US-20100130659-A1 OPTICALLY ANISOTROPIC COMPOUND AND RESIN COMPOSITION COMPRISING THE SAME LG CHEM, LTD. (KR) 2010-05-27 US disclosed
US-20100130659-A1 OPTICALLY ANISOTROPIC COMPOUND AND RESIN COMPOSITION COMPRISING THE SAME LG CHEM, LTD. (KR) 2010-05-27 US disclosed
WO-2009025484-A2 OPTICALLY ANISOTROPIC COMPOUND AND RESIN COMPOSITION COMPRISING THE SAME LG CHEM, LTD. (KR) 2009-02-26 WO disclosed
US-20070282042-A1 Esters of anhydrosugar alcohols as plasticizers UNITED STATE DEPARTMENT OF ENERGY 2007-12-06 US 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-20100130659-A1 OPTICALLY ANISOTROPIC COMPOUND AND RESIN COMPOSITION COMPRISING THE SAME RCC1, RER1, MED1 ALDH1A1 1619/4885LMNA 2515/4885CYP3A4 1976/4885

“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.