SCHEMBL15036533

SCHEMBL15036533

CCCC1=C(O)/C(=N\c2ccc(NCCCCCCO)cc2)C=C(Nc2ccc(NCCCCCCO)cc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KCNH3 Q9ULD8 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ APAF1 O14727 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL15036510 0.98 ALOX5 (0.33) KCNH3ALDH1A1MEN1KMT2A
SCHEMBL16426662 0.84 RAB9A (0.42) ALDH1A1MEN1APAF1NPC1POLB
SCHEMBL16426056 0.83 IDO1 (0.37) KCNH3ALDH1A1CA12CA1CA2
SCHEMBL16426665 0.82 RAB9A (0.34) MEN1APAF1NPC1POLBHSP90AA1
SCHEMBL15036561 0.78 IDO1 (0.37) MEN1APAF1NPC1RAB9AKMT2A
SCHEMBL16413387 0.78 DNM1 (0.38) KCNH3ALDH1A1CA12CA1CA2
SCHEMBL16413389 0.78 DNM1 (0.38) KCNH3ALDH1A1CA12CA1CA2
SCHEMBL15020327 0.77 L3MBTL1 (0.34) ALDH1A1MEN1APAF1NPC1POLB
SCHEMBL15020326 0.77 L3MBTL1 (0.34) ALDH1A1MEN1APAF1NPC1POLB
SCHEMBL12997240 0.75 NQO1 (0.36) ALDH1A1MEN1APAF1POLBKMT2A

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 3 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-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
WO-2013087772-A1 TRI-AROMATIC AZOMETHINE DIRECT DYES COMPRISING AT LEAST ONE UNIT DERIVED FROM RESORCINOL, DYEING COMPOSITION, METHOD AND USE L'OREAL (FR) 2013-06-20 — — WO 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 KCNH3 793/4885ALDH1A1 307/4885CA12 1467/4885

“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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