SCHEMBL20912469

SCHEMBL20912469

CCCCC(CC)CC(C)[O]

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP3A4 P08684 5/20 0.48
TSHR P16473 4/20 0.48
CA2 P00918 6/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
MAPK1 P28482 1/20 0.37
CA1 P00915 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
LMNA P02545 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
SCHEMBL10990502 0.83 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL4281881 0.82 ALDH1A1 (0.62) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL1873149 0.80 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL4274177 0.79 ALDH1A1 (0.59) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL16594856 0.79 ALDH1A1 (0.59) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL4652969 0.79 ALDH1A1 (0.59) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL4269643 0.79 ALDH1A1 (0.59) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL4654331 0.79 ALDH1A1 (0.59) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL4392795 0.79
SCHEMBL17968544 0.79 CA2 (0.44) ALDH1A1TDP1CYP3A4TSHRCA2

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-11008343-B2 Heterocyclic compound and organic electronic device comprising same LG CHEM, LTD. 2021-05-18 US disclosed
EP-3473627-B1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME LG CHEMICAL LTD (KR) 2020-03-18 EP disclosed
US-20190284210-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2019-09-19 US disclosed
EP-3473627-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME LG Chem, Ltd. (KR) 2019-04-24 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 (2 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-20190284210-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME CYP1A1, CYP1B1, ODC1 ALDH1A1 75/4885TDP1 2395/4885CYP3A4 23/4885
US-11008343-B2 Heterocyclic compound and organic electronic device comprising same CYP1A1, CYP1B1, ODC1 ALDH1A1 75/4885TDP1 2395/4885CYP3A4 23/4885

“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.