SCHEMBL21117501

SCHEMBL21117501

CC(C)c1ccc(-c2cnnc(-c3cc(Oc4cc(-c5ccccc5)cc(-c5cc(-c6ccc(C(C)(C)C)cc6)cnn5)c4)cc(-c4ccccc4)c3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 9/20 0.47
GABRB3 P28472 9/20 0.47
GABRA5 P31644 9/20 0.47
GABRA3 P34903 9/20 0.47
GABRA1 P14867 6/20 0.47
XDH P47989 1/20 0.35
KIF11 P52732 1/20 0.34
FABP1 P07148 1/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTPN5 P54829 1/20 0.33
DHODH Q02127 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
SCHEMBL21117473 0.85 GABRG2 (0.53) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL21117485 0.84 GABRG2 (0.54) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL21117708 0.82 GABRG2 (0.55) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL21117352 0.81 GABRG2 (0.68) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL21117329 0.73 GABRG2 (0.60) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL21117285 0.73 GABRG2 (0.56) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL21117707 0.73 GABRG2 (0.60) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL26818921 0.71 RAB9A (0.58) XDHKIF11MAPTPTPN5
SCHEMBL13539894 0.70 RAB9A (0.50) XDHKIF11NPSR1MAPTMEN1
SCHEMBL21117486 0.70 GABRG2 (0.68) GABRG2GABRB3GABRA5GABRA3GABRA1

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 GABRG2 3680/4885GABRB3 4274/4885GABRA5 3944/4885
US-12018037-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound ORC3, LEF1, OCIAD1 GABRG2 3680/4885GABRB3 4274/4885GABRA5 3944/4885

“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.