SCHEMBL21117344

SCHEMBL21117344

CC(C)(C)c1cc(Oc2cc(B3OC(C)(C)C(C)(C)O3)cc(C(C)(C)C)c2)cc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.39
NR1I2 O75469 1/20 0.37
LPL P06858 12/20 0.36
LIPG Q9Y5X9 12/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
FFAR1 O14842 1/20 0.34
P2RX7 Q99572 1/20 0.32
SNCA P37840 1/20 0.31
DGAT1 O75907 1/20 0.31
AAK1 Q2M2I8 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
SCHEMBL13268591 0.89 NR1I2 (0.42) HIF1ANR1I2LPLLIPGCA1
SCHEMBL12205425 0.86 LPL (0.41) HIF1ANR1I2LPLLIPGCA1
SCHEMBL17350120 0.86 LPL (0.41) HIF1ANR1I2LPLLIPGCA1
SCHEMBL14918908 0.84 NR1I2 (0.37) HIF1ANR1I2LPLLIPGCA1
SCHEMBL23909384 0.79 LPL (0.41) HIF1ANR1I2LPLLIPGFFAR1
SCHEMBL29416738 0.79 LPL (0.41) HIF1ANR1I2LPLLIPGFFAR1
SCHEMBL20357964 0.79 LPL (0.37) HIF1ANR1I2LPLLIPGCA1
SCHEMBL15002079 0.79 HIF1A (0.38) HIF1ANR1I2LPLLIPGCA1
SCHEMBL24333485 0.78 LPL (0.46) HIF1ANR1I2LPLLIPGCA1
SCHEMBL13468810 0.78 LPL (0.39) HIF1ANR1I2LPLLIPGCA1

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-12018037-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2024-06-25 US disclosed
US-12018037-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2024-06-25 US disclosed
US-20190194237-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-06-27 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-20190194237-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND ORC3, LEF1, OCIAD1 HIF1A 2823/4885NR1I2 475/4885LPL 2880/4885
US-12018037-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound ORC3, LEF1, OCIAD1 HIF1A 2823/4885NR1I2 475/4885LPL 2880/4885

“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.