SCHEMBL21101809

SCHEMBL21101809

CC(C)(C)c1cc(-c2ccc3ccccc3c2)cc(-c2ccc3ccccc3c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
ALOX5 P09917 1/20 0.47
HSD17B1 P14061 2/20 0.46
HSD17B2 P37059 2/20 0.46
GSTP1 P09211 1/20 0.44
CYP17A1 P05093 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
RXRB P28702 3/20 0.42
RXRA P19793 2/20 0.42
CA1 P00915 2/20 0.42
CA9 Q16790 2/20 0.42
CA2 P00918 1/20 0.42
RXRG P48443 1/20 0.42
LPL P06858 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
CYP2A6 P11509 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL27252305 0.87 KDM4E (0.45) ESR1ESR2HSD17B1HSD17B2CYP17A1
SCHEMBL7905146 0.82 ESR1 (0.65) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL24795579 0.81 CYP1A2 (0.53) ESR1ESR2GSTP1CYP17A1CYP19A1
SCHEMBL28297512 0.78 ESR1 (0.52) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL24377093 0.78 NPC1 (0.47) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL30239998 0.78 ESR1 (0.71) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL239121 0.78 ESR1 (0.71) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL30239993 0.78 ESR1 (0.71) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL30603836 0.78 ESR1 (0.71) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL5013872 0.78 ESR1 (0.71) ESR1ESR2ALOX5HSD17B1HSD17B2

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-10326082-B2 Heterocyclic compound and organic light-emitting element using same LG CHEM, LTD. (KR) 2019-06-18 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-10326082-B2 Heterocyclic compound and organic light-emitting element using same CRY1, CRY2, NR2E3 ESR1 19/4885ESR2 300/4885ALOX5 494/4885

“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.