SCHEMBL17791996

SCHEMBL17791996

c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3ccc4ccc5c(N(c6ccccc6)c6cc7ccc8cccc9oc(c6)c7c89)ccc6ccc3c4c65)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.33
▸ 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
▸ CYP1A1 P04798 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAOB P27338 1/20 0.30
▸ RAB9A P51151 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
SCHEMBL17792008 0.93 CYP1A2 (0.37) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL17791954 0.93 CYP1A2 (0.37) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL17791970 0.88 RAB9A (0.33) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL17792016 0.88 RAB9A (0.33) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL17791965 0.87 CYP1A2 (0.36) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL17792037 0.86 CYP19A1 (0.33) CYP19A1CYP1A2ERBB2FYNMAOA
SCHEMBL17792038 0.86 ALDH1A1 (0.43) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL17791986 0.86 — —
SCHEMBL12575566 0.85 CYP1A2 (0.33) CYP19A1CYP1A2ERBB2FYNMAOA
SCHEMBL17791960 0.84 ERBB2 (0.31) CYP1A2ERBB2FYNMAOAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9793491-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-10-17 — — US disclosed
US-9793491-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-10-17 — — US disclosed
US-20160155952-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-02 — — US disclosed
US-20160155952-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-02 — — 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 (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-20160155952-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME TMEM109, USE1, TRPC1 CYP19A1 266/4885CYP1A2 633/4885ERBB2 4581/4885

“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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