SCHEMBL969503

SCHEMBL969503

OCCN1CCCNCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 11/20 0.63
HRH3 Q9Y5N1 2/20 0.46
MEN1 O00255 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
ADRA2C P18825 1/20 0.46
CCR2 P41597 1/20 0.46
CXCL12 P48061 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SIGMAR1 Q99720 1/20 0.44
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.42
RAD52 P43351 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39

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
SCHEMBL12958912 1.00 CXCR4 (0.63) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL12958914 0.98 CXCR4 (0.67) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL12958919 0.98 CXCR4 (0.61) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL12958910 0.96 CXCR4 (0.64) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL12958880 0.96 CXCR4 (0.70) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL12958883 0.96 CXCR4 (0.59) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL12958886 0.93 CXCR4 (0.61) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL20466274 0.92 CXCR4 (0.55) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL12958890 0.91 CXCR4 (0.57) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL12958913 0.91 CXCR4 (0.57) CXCR4HRH3MEN1CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109153934-B Polyester dispersants, synthesis and uses thereof 雪佛龙奥伦耐有限责任公司 2022-04-05 CN claimed
EP-2651516-B1 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 4-AMINOINDOLE COUPLER L'ORÉAL (FR) 2017-06-14 EP claimed
US-9220671-B2 Dye composition comprising at least four dye precursors including at least one oxidation base and at least one coupler L'OREAL (FR) 2015-12-29 US claimed
US-9125834-B2 Dye composition comprising a heterocyclic oxidation base and a 4-aminoindole coupler L'OREAL (FR) 2015-09-08 US claimed
US-20140259454-A1 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 4-AMINOINDOLE COUPLER L'OREAL (FR) 2014-09-18 US claimed
EP-2651386-A2 DYE COMPOSITION COMPRISING AT LEAST FOUR DYE PRECURSORS INCLUDING AT LEAST ONE OXIDATION BASE AND AT LEAST ONE COUPLER L'Oréal (FR) 2013-10-23 EP claimed
EP-2651516-A2 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 4-AMINOINDOLE COUPLER L'Oréal (FR) 2013-10-23 EP claimed
WO-2012080286-A9 DYEING COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A CATIONIC 3,5-DIAMINOPYRIDINE COUPLER L'OREAL (FR) 2013-01-31 WO claimed
WO-2012080286-A2 DYEING COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A CATIONIC 3,5-DIAMINOPYRIDINE COUPLER L'OREAL (FR) 2012-06-21 WO claimed
WO-2012080321-A2 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 4-AMINOINDOLE COUPLER L'OREAL (FR) 2012-06-21 WO claimed
EP-1498109-A1 Furan derivatives and dyeing composition comprising a furan derivative as coupler L'OREAL (FR) 2005-01-19 EP claimed
US-6837908-B2 2,5-diaminopyridine oxidation bases for the dyeing of keratin fibres L'OREAL S.A. (FR) 2005-01-04 US claimed
EP-1484049-A1 Imidazole compounds and their use for dyeing of keratinous fibres L'OREAL (FR) 2004-12-08 EP claimed
EP-1459732-A1 Dye composition comprising at least one heterocyclic oxidation base and at least one 2,3,5-triaminopyridine as coupler L'OREAL (FR) 2004-09-22 EP claimed
EP-1457199-A1 Coupling agents having a 2,3,5-triaminopyridine structure and their use for dyeing keratinic fibres L'OREAL (FR) 2004-09-15 EP claimed
WO-2004031173-A1 NOVEL DIRECT BLACK DYES WITH THREE HETEROAROMATIC RINGS L'OREAL (FR) 2004-04-15 WO claimed
US-20030226216-A1 Novel 6-alkoxy-2,3-diaminopyridine couplers for dyeing keratin fibres L'OREAL S.A. (FR) 2003-12-11 US claimed
US-20030163876-A1 Novel 2,5-diaminopyridine oxidation bases for the dyeing of keratin fibres L'OREAL S.A. (FR) 2003-09-04 US claimed
EP-1336606-A1 6-Alkoxy-2,3-diaminopyridine couplers for dying keratin fibers L'OREAL (FR) 2003-08-20 EP claimed
EP-1312606-A1 2,5-diaminopyridine oxidation bases and their use for dyeing of keratin fibres L'OREAL (FR) 2003-05-21 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20140259454-A1 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 4-AMINOINDOLE COUPLER KRT18, NDUFS5, NDUFS3 CXCR4 4522/4885HRH3 1204/4885MEN1 3608/4885
US-20030226216-A1 Novel 6-alkoxy-2,3-diaminopyridine couplers for dyeing keratin fibres KRT18, DSP, DPYD CXCR4 4823/4885HRH3 2626/4885MEN1 4578/4885
US-20030163876-A1 Novel 2,5-diaminopyridine oxidation bases for the dyeing of keratin fibres KRT18, DPYD, DSP CXCR4 4852/4885HRH3 2370/4885MEN1 4750/4885

“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.