SCHEMBL21819787

SCHEMBL21819787

c1ccc(-c2ccc(Nc3cc4ccccc4c4c3oc3ccc5ccccc5c34)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 5/20 0.44
▸ CYP1A1 P04798 3/20 0.44
▸ CYP1A2 P05177 3/20 0.44
▸ PAX8 Q06710 2/20 0.44
▸ FYN P06241 1/20 0.44
▸ MAPK3 P27361 1/20 0.44
▸ AHR P35869 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.40
▸ TP53 P04637 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ CDC25B P30305 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ PTGER4 P35408 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38

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
SCHEMBL31123339 1.00 ABCG2 (0.44) ABCG2CYP1A1CYP1A2PAX8FYN
SCHEMBL31123338 0.92 HPGD (0.47) ABCG2CYP1A1CYP1A2PAX8FYN
SCHEMBL17382505 0.92 HPGD (0.47) ABCG2CYP1A1CYP1A2PAX8FYN
SCHEMBL23423974 0.88 EPHX2 (0.43) ABCG2CYP1A1CYP1A2PAX8FYN
SCHEMBL23423637 0.88 EPHX2 (0.43) ABCG2CYP1A1CYP1A2PAX8FYN
SCHEMBL23423987 0.83 ALDH1A1 (0.47) ABCG2CYP1A1CYP1A2PAX8FYN
SCHEMBL18471172 0.83 ALDH1A1 (0.47) ABCG2CYP1A1CYP1A2PAX8FYN
SCHEMBL21819786 0.83 ABCG2 (0.45) ABCG2CYP1A1CYP1A2PAX8FYN
SCHEMBL31123336 0.83 ABCG2 (0.45) ABCG2CYP1A1CYP1A2PAX8FYN
SCHEMBL17382501 0.83 MAPT (0.41) ABCG2CYP1A1CYP1A2PAX8FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12514114-B2 Amine-based compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2025-12-30 — — US disclosed
US-20200106021-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2020-04-02 — — 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 (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-20200106021-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME NAT1, NAP1L1, RAD1 ABCG2 4282/4885CYP1A1 87/4885CYP1A2 275/4885
US-12514114-B2 Amine-based compound and organic light-emitting device including the same NAP1L4, NAP1L1, TERT ABCG2 4233/4885CYP1A1 54/4885CYP1A2 655/4885

“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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