SCHEMBL23009408

SCHEMBL23009408

O=C(CC(=O)C1(F)CCCCC1)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
EPHX1 P07099 1/20 0.35
NAAA Q02083 1/20 0.34
GRM5 P41594 1/20 0.34
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL23009407 0.86 HSD11B1 (0.30) HSD11B1
SCHEMBL23009508 0.86 NAAA (0.34) HSD11B1CES2CES1HDAC8HDAC6
SCHEMBL23009421 0.80 CYP2C19 (0.34) TSHRCYP2C19ALDH1A1SMN1; SMN2
SCHEMBL23009437 0.77 DGAT1 (0.34) HSD11B1CES2CES1HDAC8HDAC6
SCHEMBL23009413 0.75 LMNA (0.31)
SCHEMBL599277 0.75 CES2 (0.55) HSD11B1CES2CES1HDAC8HDAC6
SCHEMBL11974546 0.72 CES2 (0.50) HSD11B1CES2CES1HDAC8HDAC6
SCHEMBL19492435 0.70 CES2 (0.37) HSD11B1CES2CES1HDAC8HDAC6
SCHEMBL23009409 0.69 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2
SCHEMBL23009529 0.69 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210047354-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2021-02-18 US disclosed
EP-3778614-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2021-02-17 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-20210047354-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES L1CAM, LEF1, EPCAM HSD11B1 3481/4885CES2 629/4885CES1 3473/4885

“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.