SCHEMBL22130773

SCHEMBL22130773

C1=CCCC(N(c2ccccc2)c2ccc(-c3cccc(-c4cccc(-c5ccc(N(C6=CC=CCC6)c6ccc(-c7ccccc7)cc6)cc5)c4)c3)cc2)=C1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 1/20 0.33
▸ NISCH Q9Y2I1 1/20 0.33
▸ LTB4R2 Q9NPC1 1/20 0.32
▸ MGLL Q99685 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ACMSD Q8TDX5 1/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ TDP1 Q9NUW8 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ MAOA P21397 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
SCHEMBL17751433 0.96 ACMSD (0.31) KMONISCHLTB4R2ACMSDALDH1A1
SCHEMBL13780625 0.92 ALDH1A1 (0.36) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL19188914 0.92 ALDH1A1 (0.36) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL19393437 0.91 HSD17B1 (0.36) NISCHMEN1ESR1KMT2AACMSD
SCHEMBL23917293 0.91 ALDH1A1 (0.37) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL17885890 0.91 ALDH1A1 (0.37) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL20714290 0.91 ALDH1A1 (0.37) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL29293950 0.91 ALDH1A1 (0.37) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL14277873 0.91 ALDH1A1 (0.37) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL22130790 0.90 HSD17B1 (0.33) ESR1ALDH1A1CYP1A2CYP3A4CYP2D6

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-10693078-B2 Organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2020-06-23 — — 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-10693078-B2 Organic electroluminescent device KCNN2, SLC7A5, KCNH3 KMO 204/4885NISCH 717/4885LTB4R2 1484/4885

“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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