SCHEMBL17734634

SCHEMBL17734634

COc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(OC)cc4-c4ccccc4)c(C)c3)cc2C)c(-c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ BACE1 P56817 2/20 0.40
▸ KEAP1 Q14145 2/20 0.40
▸ NFE2L2 Q16236 2/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ NCOR2 Q9Y618 1/20 0.39
▸ PIN1 Q13526 1/20 0.38
▸ ABL1 P00519 2/20 0.38
▸ ABCB1 P08183 2/20 0.38
▸ BCR P11274 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ACACA Q13085 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
SCHEMBL17734647 0.90 ABL1 (0.44) BACE1KEAP1NFE2L2HDAC8ABL1
SCHEMBL19598816 0.87 RARA (0.36) HPGDLMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL13152130 0.86 CYP11B1 (0.43) CYP11B1CYP11B2BACE1KEAP1NFE2L2
SCHEMBL15662167 0.85 BACE1 (0.49) CYP11B1CYP11B2BACE1KEAP1NFE2L2
SCHEMBL3073105 0.85 MEN1 (0.42) CYP11B1CYP11B2KEAP1NFE2L2ABL1
SCHEMBL1375531 0.85 ABL1 (0.42) CYP11B1CYP11B2BACE1KEAP1NFE2L2
SCHEMBL12315146 0.83 ABL1 (0.41) CYP11B1CYP11B2BACE1KEAP1NFE2L2
SCHEMBL16690512 0.83 ABL1 (0.41) CYP11B1CYP11B2BACE1KEAP1NFE2L2
SCHEMBL17734832 0.83 ESR1 (0.39) HPGDLMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL17734823 0.83 ESR1 (0.39) HPGDLMNAALDH1A1SMN1; SMN2NPC1

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 CYP11B1 2046/4885CYP11B2 1822/4885BACE1 2970/4885

“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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