SCHEMBL21147241

SCHEMBL21147241

CC1(C)OB(c2cc(-c3ccccc3)ccc2F)OC1(C)C

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 8/20 0.57
LPL P06858 7/20 0.57
JAK2 O60674 2/20 0.34
BTK Q06187 2/20 0.34
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
ROCK1 Q13464 1/20 0.33
DGAT1 O75907 1/20 0.33
TAAR1 Q96RJ0 2/20 0.33
ESR2 Q92731 1/20 0.33
PDGFRB P09619 1/20 0.32
KDR P35968 1/20 0.32
ACLY P53396 1/20 0.32
PGR P06401 1/20 0.32
ALOX5 P09917 1/20 0.32

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
SCHEMBL22035758 1.00 LIPG (0.57) LIPGLPLJAK2BTKHSD17B1
SCHEMBL20904793 0.89 LIPG (0.46) LIPGLPLJAK2BTKTAAR1
SCHEMBL23676982 0.89 LIPG (0.49) LIPGLPLDGAT1
SCHEMBL20904636 0.89 LIPG (0.62) LIPGLPLJAK2BTKPDGFRB
SCHEMBL23676989 0.88 LIPG (0.46) LIPGLPL
SCHEMBL3794764 0.87 LIPG (0.57) LIPGLPLJAK2BTKHSD17B1
SCHEMBL30514721 0.87 LIPG (0.57) LIPGLPLJAK2BTKHSD17B1
SCHEMBL20654912 0.87 LIPG (0.46) LIPGLPLDGAT1
SCHEMBL21689798 0.84 LPL (0.44) LIPGLPLDGAT1
SCHEMBL20904632 0.84 PGR (0.43) LIPGLPLJAK2BTKPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11706977-B2 Heterocyclic compound, composition including the same, and organic light-emitting device including the heterocyclic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-07-18 US disclosed
US-11706977-B2 Heterocyclic compound, composition including the same, and organic light-emitting device including the heterocyclic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-07-18 US disclosed
US-20190214570-A1 HETEROCYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE HETEROCYCLIC COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-07-11 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 (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-11706977-B2 Heterocyclic compound, composition including the same, and organic light-emitting device including the heterocyclic compound CRY1, CYP1B1, CYP1A1 LIPG 3920/4885LPL 2843/4885JAK2 2472/4885
US-20190214570-A1 HETEROCYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE HETEROCYCLIC COMPOUND CRY1, CYP1B1, CYP1A1 LIPG 3920/4885LPL 2843/4885JAK2 2472/4885

“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.