SCHEMBL17704066

SCHEMBL17704066

CC1(C)c2cc(-c3cccc(-c4cccnc4)c3)ccc2Oc2ccc(-c3ccc4c(c3)c3cc(C#N)ccc3n4-c3ccccc3)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 4/20 0.42
▸ CYP11B1 P15538 2/20 0.42
▸ CYP17A1 P05093 1/20 0.42
▸ BACE1 P56817 2/20 0.40
▸ CHRNB2 P17787 3/20 0.39
▸ CHRNA5 P30532 3/20 0.39
▸ CHRNA4 P43681 3/20 0.39
▸ MAPK1 P28482 1/20 0.37
▸ PTGER4 P35408 3/20 0.36
▸ ABCC9 O60706 1/20 0.35
▸ FLT3 P36888 2/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ NEK1 Q96PY6 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34

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
SCHEMBL17704027 0.98 CYP11B2 (0.42) CYP11B2CYP11B1CYP17A1BACE1CHRNB2
SCHEMBL17704067 0.93 CYP11B2 (0.39) CYP11B2CYP11B1CYP17A1BACE1CHRNB2
SCHEMBL17703995 0.92 CYP11B2 (0.41) CYP11B2CYP11B1CYP17A1BACE1CHRNB2
SCHEMBL17704045 0.90 CYP11B2 (0.41) CYP11B2CYP11B1CYP17A1BACE1CHRNB2
SCHEMBL17704025 0.90 CYP2A6 (0.41) CYP11B2CYP11B1CYP17A1BACE1MAPK1
SCHEMBL17704013 0.89 CYP11B2 (0.36) CYP11B2CYP11B1CYP17A1BACE1CHRNB2
SCHEMBL17704003 0.87 CYP11B2 (0.40) CYP11B2CYP11B1CYP17A1BACE1CHRNB2
SCHEMBL17704032 0.86 ABCC9 (0.34) ABCC9
SCHEMBL17704026 0.85 MYC (0.41) BACE1ABCC9FLT3ABCG2
SCHEMBL17703991 0.85 CYP1A2 (0.36) BACE1MAPK1ABCC9KDM4EMEN1

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-9722187-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-08-01 — — US disclosed
US-20160118599-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-28 — — 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-20160118599-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, AOX1, CYP1A1 CYP11B2 853/4885CYP11B1 816/4885CYP17A1 292/4885

“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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