SCHEMBL22173458

SCHEMBL22173458

CC1(C)OB(c2cccc(C3(c4cccc(-c5ccccc5)c4)c4ccccc4-c4ccccc43)c2)OC1(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 9/20 0.50
LPL P06858 8/20 0.50
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
PDK2 Q15119 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
OPRK1 P41145 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BACE1 P56817 2/20 0.32
KCNH2 Q12809 2/20 0.32
PDGFRB P09619 1/20 0.32
KDR P35968 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
P4HB P07237 1/20 0.32
UTS2R Q9UKP6 1/20 0.31

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
SCHEMBL22173457 0.94 LIPG (0.52) LIPGLPLESR1ESR2PDK2
SCHEMBL22173461 0.92 LIPG (0.61) LIPGLPLESR1ESR2PDK2
SCHEMBL29603064 0.92 LIPG (0.44) LIPGLPLESR1ESR2KDM4E
SCHEMBL17470489 0.92 LIPG (0.44) LIPGLPLESR1ESR2KDM4E
SCHEMBL12166505 0.92 LIPG (0.43) LIPGLPLESR1ESR2KDM4E
SCHEMBL22173210 0.91 LIPG (0.60) LIPGLPLESR1ESR2PDK2
SCHEMBL17816784 0.91 LIPG (0.43) LIPGLPLESR1ESR2KDM4E
SCHEMBL22173327 0.90 LIPG (0.58) LIPGLPLESR1ESR2PDK2
SCHEMBL21922806 0.89 LIPG (0.42) LIPGLPLESR1ESR2PDK2
SCHEMBL17143248 0.88 LIPG (0.48) LIPGLPLESR1ESR2PDK2

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-20230140682-A1 Heterocyclic compound, composition including the same, and organic light-emitting device including the heterocyclic compound SAMSUNG ELECTRONICS CO LTD (KR) 2023-05-04 US disclosed
US-20230140682-A1 Heterocyclic compound, composition including the same, and organic light-emitting device including the heterocyclic compound SAMSUNG ELECTRONICS CO LTD (KR) 2023-05-04 US disclosed
US-11542252-B2 Heterocyclic compound, composition including the same, and organic light-emitting device including the heterocyclic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-01-03 US disclosed
US-20200207739-A1 Heterocyclic compound, composition including the same, and organic light-emitting device including the heterocyclic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-07-02 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 (3 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-11542252-B2 Heterocyclic compound, composition including the same, and organic light-emitting device including the heterocyclic compound CCNT1, CCNA1, CYP1B1 LIPG 4659/4885LPL 3627/4885ESR1 147/4885
US-20230140682-A1 Heterocyclic compound, composition including the same, and organic light-emitting device including the heterocyclic compound CCNT1, CCNA1, CYP1B1 LIPG 4659/4885LPL 3627/4885ESR1 147/4885
US-20200207739-A1 Heterocyclic compound, composition including the same, and organic light-emitting device including the heterocyclic compound CCNT1, CCNA1, CYP1B1 LIPG 4659/4885LPL 3627/4885ESR1 147/4885

“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.