SCHEMBL5154556

SCHEMBL5154556

Cc1[nH]c(=O)[nH]c(=O)c1C=O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.55
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
KDM4E B2RXH2 2/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TYMP P19971 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
HTT P42858 2/20 0.40
CYP1A2 P05177 1/20 0.39
PKM P14618 1/20 0.39
RECQL P46063 1/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.37
ACHE P22303 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL14204511 0.77 TYMP (0.62) NPC1ALDH1A1HPGDKDM4ERAB9A
SCHEMBL2493416 0.73 SMN1; SMN2 (0.50) NPC1SMN1; SMN2ACHE
SCHEMBL15331973 0.71 ACHE (0.53) ALDH1A1HPGDKDM4EL3MBTL1TYMP
SCHEMBL11530404 0.71 SMN1; SMN2 (0.37) NPC1HPGDKDM4ETYMPSMN1; SMN2
SCHEMBL15331802 0.71 TYMP (0.48) NPC1KDM4ETYMPACHE
SCHEMBL1668788 0.71 NPC1 (1.00) NPC1ALDH1A1HPGDKDM4ERAB9A
SCHEMBL1668789 0.71 NPC1 (1.00) NPC1ALDH1A1HPGDKDM4ERAB9A
SCHEMBL15499332 0.70 NPC1 (0.72) NPC1ALDH1A1HPGDKDM4ERAB9A
SCHEMBL4560171 0.70 TYMP (0.52) NPC1ALDH1A1HPGDKDM4ERAB9A
SCHEMBL2891526 0.70 TYMP (0.52) NPC1ALDH1A1HPGDKDM4ERAB9A

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070130702-A1 Dyeing process using a specific compound containing active methylene and a compound chosen from a specific aldehyde, a specific ketone, a quinone and a diiminoisoindoline or 3-aminoisoindolone derivative L'OREAL S.A. 2007-06-14 US claimed
US-7204857-B1 Dyeing method using a specific active methylene compound and a compound selected among a specific aldehyde, a specific ketone, a quinone and a di-imino-isoindoline or 3-amino-isoindolone derivative L'OREAL S.A. (FR) 2007-04-17 US claimed
US-6635090-B1 Dyeing method using a specific cationic derivative and a compound selected among a specific aldehyde, a specific ketone, a quinone and a di-imino-isoindoline or 3-amino-isoindolone derivative L'OREAL, S.A. (FR) 2003-10-21 US claimed
US-6458168-B1 Hair dyeing method using an aliphatic cationic amine and compound chosen from an aldehyde, a ketone, a quinone, a di-imino-isoindoline, and a 3-aminoisoindolone derivative L'OREAL S.A. (FR) 2002-10-01 US claimed
US-6451067-B1 HAIR DYE MIXTURE L'OREAL S.A. (FR) 2002-09-17 US claimed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-8912150-B2 Ribosome structure and protein synthesis inhibitors MELINTA THERAPEUTICS, INC. (US) 2014-12-16 US disclosed
US-20140066623-A1 Ribosome Structure and Protein Synthesis Inhibitors MELINTA THERAPEUTICS, LLC 2014-03-06 US disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-1073407-A1 HAIR DYEING METHOD USING AN ALIPHATIC CATIONIC AMINE AND A ALDEHYDE OR KETONE ORQUINONE OR DI-IMINO-ISOINDOLINE OR 3-AMINO-ISO-INDOLONE DERIVATIVES L'OREAL (FR) 2001-02-07 EP disclosed
EP-1056435-A1 DYEING METHOD USING AN ALIPHATIC CATIONIC AMINE AND A ALDEHYDE OR KETONE OR QUINONE OR DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVES L'OREAL (FR) 2000-12-06 EP disclosed
EP-1056434-A1 DYEING METHOD USING A SPECIFIC CATIONIC DERIVATIVE AND A COMPOUND SELECTED AMONG A SPECIFIC ALDEHYDE, A SPECIFIC KETONE, A QUINONE AND A DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVE L'OREAL (FR) 2000-12-06 EP disclosed
EP-1056433-A1 DYEING METHOD USING A SPECIFIC ACTIVE METHYLENE COMPOUND AND A COMPOUND SELECTED AMONG A SPECIFIC ALDEHYDE, A SPECIFIC KETONE, A QUINONE AND A DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVE L'OREAL (FR) 2000-12-06 EP disclosed
WO-2000038639-A1 DYEING METHOD USING A SPECIFIC CATIONIC DERIVATIVE AND A COMPOUND SELECTED AMONG A SPECIFIC ALDEHYDE, A SPECIFIC KETONE, A QUINONE AND A DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVE L'OREAL (FR) 2000-07-06 WO disclosed
WO-2000038640-A1 HAIR DYEING METHOD USING AN ALIPHATIC CATIONIC AMINE AND A ALDEHYDE OR KETONE OR QUINONE OR DI-IMINO-ISOINDOLINE OR 3-AMINO-ISO-INDOLONE DERIVATIVES L'OREAL (FR) 2000-07-06 WO disclosed
WO-2000038641-A1 DYEING METHOD USING AN ALIPHATIC CATIONIC AMINE AND A ALDEHYDE OR KETONE OR QUINONE OR DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVES L'OREAL (FR) 2000-07-06 WO disclosed
WO-2000038638-A1 DYEING METHOD USING A SPECIFIC ACTIVE METHYLENE COMPOUND AND A COMPOUND SELECTED AMONG A SPECIFIC ALDEHYDE, A SPECIFIC KETONE, A QUINONE AND A DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVE L'OREAL (FR) 2000-07-06 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-20070130702-A1 Dyeing process using a specific compound containing active methylene and a compound chosen from a specific aldehyde, a specific ketone, a quinone and a diiminoisoindoline or 3-aminoisoindolone derivative KRT18, NDUFB5, NDUFB7 NPC1 4755/4885ALDH1A1 83/4885HPGD 125/4885

“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.