SCHEMBL25842113

SCHEMBL25842113

c1ccc2cc(-c3ccc(-c4ccc5ccc6c(-c7ccc(-c8cccc9ccccc89)cc7)ccc7ccc4c5c76)cc3)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA9 Q16790 3/20 0.49
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
CYP1A2 P05177 2/20 0.43
ERBB2 P04626 1/20 0.43
FYN P06241 1/20 0.43
MAOA P21397 1/20 0.43
ACHE P22303 1/20 0.43
AHR P35869 1/20 0.43
PIM1 P11309 2/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
THRB P10828 1/20 0.42
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL1155157 0.95 GSTP1 (0.46) CA12CA1CA2CA9CYP1A2
SCHEMBL24728748 0.92 ESR1 (0.52) CA1CA2CA9ESR1ESR2
SCHEMBL1655376 0.90 CYP1A2 (0.52) CA12CA1CA2CA9CYP1A2
SCHEMBL3687052 0.88 ALDH1A1 (0.50) CA12CA1CA2CA9CYP1A2
SCHEMBL17427695 0.85 PIM1 (0.45) CA12CA1CA2CA9CYP1A2
SCHEMBL2789566 0.84 GSTP1 (0.52) ESR1ESR2CYP1A2ERBB2FYN
SCHEMBL26550598 0.84 CA12 (0.59) CA12CA1CA2CA9ESR1
SCHEMBL26565845 0.84 CA12 (0.59) CA12CA1CA2CA9ESR1
SCHEMBL3687907 0.84 GSTP1 (0.55) CA1CA2CA9ESR1ESR2
SCHEMBL3792915 0.84 GSTP1 (0.55) CA1CA2CA9ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230225189-A1 LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE ORGANOMETALLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2023-07-13 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 (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-20230225189-A1 LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE ORGANOMETALLIC COMPOUND CRY1, LAGE3, LEF1 CA12 3410/4885CA1 3642/4885CA2 4489/4885

“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.