SCHEMBL17792038

SCHEMBL17792038

Cc1ccc2ccc3c(N(c4ccccc4)c4cc5ccc6cccc7oc(c4)c5c67)ccc4ccc1c2c43

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ERBB2 P04626 1/20 0.33
▸ CYP1A2 P05177 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
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ MAOB P27338 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) ALDH1A1HPGDHSD17B10TDP1L3MBTL1
SCHEMBL17791954 0.93 CYP1A2 (0.37) ALDH1A1HPGDHSD17B10TDP1L3MBTL1
SCHEMBL17791999 0.91 ALDH1A1 (0.33) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL17791982 0.89 ALDH1A1 (0.35) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL17792013 0.89 ALDH1A1 (0.35) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL17792058 0.88 ALDH1A1 (0.47) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL17791965 0.87 CYP1A2 (0.36) ALDH1A1HPGDHSD17B10TDP1L3MBTL1
SCHEMBL17791973 0.87 L3MBTL1 (0.33) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL17791978 0.86 ERBB2 (0.31) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL17791996 0.86 CYP19A1 (0.33) ALDH1A1ERBB2CYP1A2FYNMAOA

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-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

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 ALDH1A1 57/4885HPGD 2780/4885CYP3A4 690/4885

“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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