SCHEMBL17734648

SCHEMBL17734648

Cc1cc(-c2ccc(N(c3ccc(Oc4ccccc4)cc3)c3ccccc3-c3ccccc3)c(C)c2)ccc1N(c1ccc(Oc2ccccc2)cc1)c1ccccc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GSTP1 P09211 1/20 0.42
▸ BRD4 O60885 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ PGR P06401 2/20 0.34
▸ BTK Q06187 1/20 0.34
▸ LTA4H P09960 3/20 0.34
▸ NCOA1 Q15788 1/20 0.33
▸ NCOA3 Q9Y6Q9 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ KEAP1 Q14145 1/20 0.32
▸ NFE2L2 Q16236 1/20 0.32
▸ FFAR4 Q5NUL3 2/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ ABCB1 P08183 1/20 0.32
▸ BCR P11274 1/20 0.32

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
SCHEMBL17734647 0.90 ABL1 (0.44) KEAP1NFE2L2BACE1ABL1ABCB1
SCHEMBL17734494 0.89 ESR1 (0.39) BRD4ESR1PGR
SCHEMBL17734517 0.89 ESR1 (0.39) BRD4ESR1PGR
SCHEMBL17734823 0.89 ESR1 (0.39) BRD4ESR1PGR
SCHEMBL17734832 0.89 ESR1 (0.39) BRD4ESR1PGR
SCHEMBL17734645 0.88 FFAR4 (0.39) GSTP1PGRLTA4HKEAP1NFE2L2
SCHEMBL17734492 0.87 ESR1 (0.40) ESR1PTGS2
SCHEMBL17734829 0.86 ESR1 (0.38) ESR1
SCHEMBL17734498 0.86 ESR1 (0.38) ESR1NCOA1NCOA3
SCHEMBL17734533 0.86 ESR1 (0.38) ESR1

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-20160133847-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2016-05-12 — — US disclosed
US-20160133847-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2016-05-12 — — 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-20160133847-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT ARL1, CCNL2, APOL1 GSTP1 3289/4885BRD4 625/4885ESR1 15/4885

“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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