SCHEMBL19082281

SCHEMBL19082281

c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6sc7cc8c(cc7c6c5)sc5cc6ccccc6cc58)cc4)c4ccccc34)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.40
ESR2 Q92731 5/20 0.40
ALOX5 P09917 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
S1PR5 Q9H228 3/20 0.34
S1PR4 O95977 2/20 0.34
GSTP1 P09211 1/20 0.33
CYP17A1 P05093 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PDE9A O76083 1/20 0.33
PTPN1 P18031 1/20 0.33
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL17247064 0.99 ESR1 (0.41) ESR1ESR2ALOX5CA1CA2
SCHEMBL17932020 0.99 ESR1 (0.41) ESR1ESR2ALOX5CA1CA2
SCHEMBL24341704 0.94 ESR1 (0.38) ESR1ESR2ALOX5CA1CA2
SCHEMBL17247091 0.94 HSD17B1 (0.40) ESR1ESR2ALOX5CA1CA2
SCHEMBL17945056 0.94 GPR3 (0.40) ESR1ESR2ALOX5CA1CA2
SCHEMBL19082191 0.94 ESR1 (0.39) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL17247054 0.94 ESR1 (0.37) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL19077567 0.93 GPR3 (0.39) ESR1ESR2PTPN1CYP1A2SMN1; SMN2
SCHEMBL19077354 0.93 ESR1 (0.39) ESR1ESR2ALOX5CA1CA2
SCHEMBL24118978 0.93 ESR1 (0.41) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10553800-B2 Condensed cyclic compound and an organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2020-02-04 US disclosed
US-20170194572-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-07-06 US disclosed
US-20170194572-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-07-06 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-10553800-B2 Condensed cyclic compound and an organic light-emitting device including the same CRY1, CRY2, CCNT1 ESR1 225/4885ESR2 542/4885ALOX5 1939/4885
US-20170194572-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNT1 ESR1 225/4885ESR2 542/4885ALOX5 1939/4885

“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.