SCHEMBL17658666

SCHEMBL17658666

c1ccc2c(N(c3ccc4c(c3)sc3c5ccc(N(c6ccc7ccc8ccccc8c7c6)c6cccc7ccccc67)cc5c5ccccc5c43)c3ccc4ccc5ccccc5c4c3)cccc2c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 4/20 0.36
▸ CYP1A2 P05177 2/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ AHR P35869 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ CYP1B1 Q16678 2/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CYP1A1 P04798 1/20 0.30

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
SCHEMBL18214153 0.96 HPRT1 (0.33) HPRT1CYP1A2ERBB2FYNMAOA
SCHEMBL17658105 0.93 SIGMAR1 (0.33) HPRT1CYP1B1CYP1A1
SCHEMBL17658667 0.90 SIGMAR1 (0.30) —
SCHEMBL26046325 0.89 CYP1B1 (0.37) HPRT1CYP1A2ALDH1A1HSD17B10CYP1B1
SCHEMBL17658305 0.88 HPRT1 (0.35) HPRT1CYP1A2ERBB2FYNMAOA
SCHEMBL17658341 0.88 HPRT1 (0.35) HPRT1CYP1A2ERBB2FYNMAOA
SCHEMBL17658227 0.88 LIMK1 (0.32) CYP1B1CYP1A1
SCHEMBL17658267 0.88 LIMK1 (0.32) CYP1B1CYP1A1
SCHEMBL17658277 0.88 KDM4E (0.32) ALDH1A1HPGD
SCHEMBL17658363 0.88 HPRT1 (0.33) HPRT1CYP1B1CYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9923147-B2 Organic light emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-20 — — US disclosed
US-9923147-B2 Organic light emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-20 — — US disclosed
US-9856243-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-02 — — US disclosed
US-20160329501-A1 ORGANIC LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-11-10 — — US disclosed
US-20160329501-A1 ORGANIC LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-11-10 — — US disclosed
US-20160099423-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-07 — — US disclosed
US-20160099423-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-07 — — 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-20160099423-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, MCM4 HPRT1 355/4885CYP1A2 470/4885ERBB2 4453/4885

“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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