SCHEMBL23075243

SCHEMBL23075243

ClC1=NC(c2ccc(-c3ccc4ccccc4c3)cc2)NC(c2ccccc2)=N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.36
▸ ESR2 Q92731 3/20 0.36
▸ CYP17A1 P05093 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ ACHE P22303 2/20 0.35
▸ HSD17B1 P14061 1/20 0.35
▸ HSD17B2 P37059 1/20 0.35
▸ CYP1A1 P04798 1/20 0.35
▸ CYP1B1 Q16678 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ NISCH Q9Y2I1 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
SCHEMBL25523640 0.91 NISCH (0.39) ESR1ESR2CYP17A1CYP19A1CYP11B1
SCHEMBL22174543 0.91 EGFR (0.36) ACHEMEN1ALDH1A1KMT2AEGFR
SCHEMBL18808569 0.88 NISCH (0.39) ESR1ESR2CYP17A1CYP19A1CYP11B1
SCHEMBL29315596 0.87 ESR1 (0.36) ESR1ESR2CYP17A1CYP19A1CYP11B1
SCHEMBL24037118 0.86 P2RX7 (0.42) KDM4EMEN1ALDH1A1CYP1A2KMT2A
SCHEMBL29315630 0.86 ESR1 (0.37) ESR1ESR2CYP17A1CYP19A1CYP11B1
SCHEMBL12782001 0.83 P2RX7 (0.45) KDM4EMEN1ALDH1A1KMT2AHSD17B10
SCHEMBL27381590 0.83 NISCH (0.38) ESR1ESR2CYP17A1CYP19A1CYP11B1
SCHEMBL27380775 0.82 ESR1 (0.40) ESR1ESR2CYP17A1CYP19A1CYP11B1
SCHEMBL29316537 0.81 CA12 (0.36) KDM4EALDH1A1TP53CYP1A2SMN1; SMN2

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-20210070706-A1 COMPOSITION, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-03-11 — — 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-20210070706-A1 COMPOSITION, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE OXER1, OR10J3, OR51E2 ESR1 769/4885ESR2 1547/4885CYP17A1 390/4885

“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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