SCHEMBL19942066

SCHEMBL19942066

N#Cc1cccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6cccc7ccc(-c8ccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)cc8)cc67)cc5)c(C#N)c4)c4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc34)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 6/20 0.42
▸ CYP3A4 P08684 5/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ LMNA P02545 4/20 0.42
▸ CYP2C19 P33261 3/20 0.42
▸ CLK4 Q9HAZ1 3/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ CYP2D6 P10635 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ MAPK1 P28482 2/20 0.39
▸ ABCG2 Q9UNQ0 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ XDH P47989 2/20 0.38
▸ ALDH1A3 P47895 1/20 0.38
▸ PDK2 Q15119 1/20 0.37

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
SCHEMBL19942210 0.90 CYP1A2 (0.49) CYP1A2CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL19942081 0.90 CYP1A2 (0.49) CYP1A2CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL19942217 0.90 CYP1A2 (0.49) CYP1A2CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL19942198 0.89 CYP1A2 (0.50) CYP1A2CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL19942322 0.88 CYP1A2 (0.43) CYP1A2CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL22986969 0.88 CYP1A2 (0.51) CYP1A2CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL22986976 0.88 CYP1A2 (0.50) CYP1A2CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL22883058 0.87 CYP1A2 (0.44) CYP1A2CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL19942214 0.85 CYP1A2 (0.43) CYP1A2CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL19942106 0.85 CYP1A2 (0.43) CYP1A2CYP3A4MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180066180-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2018-03-08 — — 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-20180066180-A1 ORGANIC LIGHT-EMITTING DEVICE CRY1, CRY2, PPOX CYP1A2 284/4885CYP3A4 109/4885MEN1 2120/4885

“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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