SCHEMBL20005307

SCHEMBL20005307

CCCCC(CC)COc1cc(C(C)(C)C)c(OCC(CC)CCCC)cc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 9/20 0.40
CA2 P00918 1/20 0.40
MAPK1 P28482 3/20 0.40
TSHR P16473 4/20 0.39
TDP1 Q9NUW8 3/20 0.38
ATM Q13315 2/20 0.38
GAA P10253 1/20 0.37
XBP1 P17861 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 3/20 0.37
HSD17B10 Q99714 1/20 0.36
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35

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
SCHEMBL23665832 0.94 CYP3A4 (0.41) CYP3A4L3MBTL1ALDH1A1CA2MAPK1
SCHEMBL13955672 0.83 TDP1 (0.34) CYP3A4L3MBTL1ALDH1A1CA2MAPK1
SCHEMBL18745551 0.80 TDP1 (0.34) CYP3A4L3MBTL1ALDH1A1CA2MAPK1
SCHEMBL19750759 0.80 TDP1 (0.34) CYP3A4L3MBTL1ALDH1A1CA2MAPK1
SCHEMBL13403927 0.79 TDP1 (0.33) CYP3A4ALDH1A1MAPK1TSHRTDP1
SCHEMBL13475567 0.78 CYP3A4 (0.44) CYP3A4L3MBTL1ALDH1A1CA2MAPK1
SCHEMBL15244179 0.77 CYP3A4 (0.45) CYP3A4L3MBTL1ALDH1A1CA2MAPK1
SCHEMBL22522159 0.77 CYP3A4 (0.43) CYP3A4L3MBTL1ALDH1A1CA2MAPK1
SCHEMBL770794 0.77 CYP3A4 (0.45) CYP3A4L3MBTL1ALDH1A1CA2MAPK1
SCHEMBL23201542 0.77 CYP3A4 (0.47) CYP3A4L3MBTL1ALDH1A1CA2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180090687-A1 CROSS-CONJUGATED POLYMER, MATERIAL FOR ELECTRONIC ELEMENT, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD (JP) 2018-03-29 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-20180090687-A1 CROSS-CONJUGATED POLYMER, MATERIAL FOR ELECTRONIC ELEMENT, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT SLC18A1, SLC1A2, SLC43A1 CYP3A4 414/4885L3MBTL1 1552/4885ALDH1A1 764/4885

“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.