SCHEMBL16426056

SCHEMBL16426056

COC1=C(O)/C(=N\c2ccc(NCCCCCCO)cc2)C=C(Nc2ccc(NCCCCCCO)cc2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.37
▸ ALOX5 P09917 7/20 0.37
▸ MEN1 O00255 2/20 0.35
▸ APAF1 O14727 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CCR6 P51684 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ TDP2 O95551 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CASP6 P55212 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KCNH3 Q9ULD8 4/20 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
SCHEMBL15036561 0.91 IDO1 (0.37) IDO1ALOX5MEN1APAF1KMT2A
SCHEMBL15036533 0.83 KCNH3 (0.33) MEN1APAF1KMT2ANPC1RAB9A
SCHEMBL16426683 0.82 RAB9A (0.48) IDO1MEN1APAF1KMT2ANPC1
SCHEMBL15036510 0.81 ALOX5 (0.33) ALOX5MEN1KMT2AALDH1A1KDM4E
SCHEMBL16426689 0.80 IDO1 (0.43) IDO1MEN1APAF1KMT2ANPC1
SCHEMBL16413387 0.78 DNM1 (0.38) ALDH1A1KCNH3CA12CA1CA2
SCHEMBL16413389 0.78 DNM1 (0.38) ALDH1A1KCNH3CA12CA1CA2
SCHEMBL12997240 0.76 NQO1 (0.36) MEN1APAF1KMT2ABLMALDH1A1
SCHEMBL15020256 0.76 IDO1 (0.37) IDO1MEN1APAF1KMT2ANPC1
SCHEMBL15020258 0.76 IDO1 (0.37) IDO1MEN1APAF1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9439844-B2 Tri-aromatic azomethine direct dyes comprising at least one unit derived from resorcinol, dyeing composition, method and use L'OREAL (FR) 2016-09-13 — — US disclosed
US-9439844-B2 Tri-aromatic azomethine direct dyes comprising at least one unit derived from resorcinol, dyeing composition, method and use L'OREAL (FR) 2016-09-13 — — US disclosed
US-20150027483-A1 TRI-AROMATIC AZOMETHINE DIRECT DYES COMPRISING AT LEAST ONE UNIT DERIVED FROM RESORCINOL, DYEING COMPOSITION, METHOD AND USE L'OREAL (FR) 2015-01-29 — — US disclosed
US-20150027483-A1 TRI-AROMATIC AZOMETHINE DIRECT DYES COMPRISING AT LEAST ONE UNIT DERIVED FROM RESORCINOL, DYEING COMPOSITION, METHOD AND USE L'OREAL (FR) 2015-01-29 — — 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-20150027483-A1 TRI-AROMATIC AZOMETHINE DIRECT DYES COMPRISING AT LEAST ONE UNIT DERIVED FROM RESORCINOL, DYEING COMPOSITION, METHOD AND USE KRT18, IK, MKI67 IDO1 264/4885ALOX5 4228/4885MEN1 2291/4885

“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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