SCHEMBL22174875

SCHEMBL22174875

c1ccc(-c2cccc(-c3cccc(-c4ccc(-c5cccc6c5oc5c(-c7ccc(-c8cccc(-c9ccc%10ccccc%10c9)c8)cc7)cccc56)cc4)c3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 3/20 0.46
▸ HSD17B1 P14061 2/20 0.45
▸ HSD17B2 P37059 2/20 0.45
▸ ESR1 P03372 3/20 0.43
▸ ESR2 Q92731 3/20 0.43
▸ ALOX5 P09917 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CYP1A1 P04798 1/20 0.41
▸ CYP1B1 Q16678 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PGR P06401 1/20 0.41
▸ PLA2G2A P14555 1/20 0.40
▸ PLA2G4A P47712 1/20 0.40
▸ GPR84 Q9NQS5 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 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
SCHEMBL22175040 1.00 PRKDC (0.46) PRKDCHSD17B1HSD17B2ESR1ESR2
SCHEMBL23180922 0.92 PRKDC (0.41) PRKDCHSD17B1HSD17B2ESR1ESR2
SCHEMBL26271256 0.91 ALDH1A1 (0.46) PRKDCHSD17B1HSD17B2ESR1ESR2
SCHEMBL26271258 0.91 PRKDC (0.43) PRKDCHSD17B1HSD17B2ESR1ESR2
SCHEMBL17703132 0.91 PRKDC (0.43) PRKDCHSD17B1HSD17B2ESR1ESR2
SCHEMBL21425281 0.91 PRKDC (0.43) PRKDCHSD17B1HSD17B2ESR1ESR2
SCHEMBL17703104 0.91 PRKDC (0.43) PRKDCHSD17B1HSD17B2ESR1ESR2
SCHEMBL22182836 0.90 ALOX5 (0.49) PRKDCALOX5CA12CA1CA2
SCHEMBL22174959 0.90 ALOX5 (0.49) PRKDCALOX5CA12CA1CA2
SCHEMBL22174894 0.90 ALOX5 (0.49) PRKDCALOX5CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11697645-B2 Heterocyclic compound, composition including heterocyclic compound, and organic light-emitting device including heterocyclic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-07-11 — — US disclosed
US-11697645-B2 Heterocyclic compound, composition including heterocyclic compound, and organic light-emitting device including heterocyclic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-07-11 — — US disclosed
US-20230126748-A1 POLYMER, A COMPOSITION, AND AN ELECTROLUMINESCENT DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-04-27 — — US disclosed
US-20230126748-A1 POLYMER, A COMPOSITION, AND AN ELECTROLUMINESCENT DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-04-27 — — US disclosed
US-20220069240-A1 COMPOSITION AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2022-03-03 — — US disclosed
US-20210184132-A1 COMPOUND, COMPOSITION INCLUDING THE SAME, LIQUID COMPOSITION, AND ORGANIC ELECTROLUMINESCENT DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-06-17 — — US disclosed
US-20200212306-A1 QUANTUM DOT ELECTROLUMINESCENCE DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-07-02 — — US disclosed
US-20200207732-A1 HETEROCYCLIC COMPOUND, COMPOSITION INCLUDING HETEROCYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING HETEROCYCLIC COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-07-02 — — US disclosed
US-20200212314-A1 ORGANIC LIGHT-EMITTING DEVICE AND APPARATUS INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-07-02 — — 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 (4 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-11697645-B2 Heterocyclic compound, composition including heterocyclic compound, and organic light-emitting device including heterocyclic compound CYP1B1, CYP1A1, CCNT1 PRKDC 4705/4885HSD17B1 1411/4885HSD17B2 1921/4885
US-20210184132-A1 COMPOUND, COMPOSITION INCLUDING THE SAME, LIQUID COMPOSITION, AND ORGANIC ELECTROLUMINESCENT DEVICE TERT, TELO2, POT1 PRKDC 1457/4885HSD17B1 4371/4885HSD17B2 4043/4885
US-20200207732-A1 HETEROCYCLIC COMPOUND, COMPOSITION INCLUDING HETEROCYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING HETEROCYCLIC COMPOUND CYP1B1, CYP1A1, CCNT1 PRKDC 4705/4885HSD17B1 1411/4885HSD17B2 1921/4885
US-20220069240-A1 COMPOSITION AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME ORC3, LAGE3, ERCC1 PRKDC 1776/4885HSD17B1 3336/4885HSD17B2 3007/4885

“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.

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