SCHEMBL21614162

SCHEMBL21614162

COCCN(CCOC)c1cc(OC)cc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP1A1 P04798 2/20 0.41
▸ CYP1B1 Q16678 2/20 0.41
▸ CALM1 P0DP23 1/20 0.38
▸ FGFR4 P22455 3/20 0.36
▸ FGFR3 P22607 3/20 0.36
▸ MAOA P21397 2/20 0.36
▸ MAOB P27338 2/20 0.36
▸ CRHR1 P34998 3/20 0.36
▸ FGFR1 P11362 2/20 0.36
▸ FGFR2 P21802 2/20 0.36
▸ KDR P35968 2/20 0.36
▸ ESR1 P03372 2/20 0.35
▸ AHR P35869 2/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ TTR P02766 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ BCR P11274 1/20 0.35

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
SCHEMBL21614161 0.81 MTNR1A (0.52) FGFR4FGFR3FGFR1FGFR2KDR
SCHEMBL30817924 0.81 MTNR1A (0.52) FGFR4FGFR3FGFR1FGFR2KDR
SCHEMBL13740891 0.81 ALDH1A1 (0.48) ALDH1A1CYP1A1CYP1B1CALM1MAOA
SCHEMBL31589683 0.79 ALDH1A1 (0.46) ALDH1A1CYP1A1CYP1B1CALM1FGFR4
SCHEMBL29141148 0.79 CRHR1 (0.34) ALDH1A1CRHR1
SCHEMBL21614173 0.79 CRHR1 (0.33) ALDH1A1CRHR1
SCHEMBL11940223 0.78 ALDH1A1 (0.44) ALDH1A1CALM1MAOAMAOBAHR
SCHEMBL21611340 0.77 CRHR1 (0.42) CRHR1
SCHEMBL24614132 0.76 ALDH1A1 (0.52) ALDH1A1CYP1A1CYP1B1CALM1CRHR1
SCHEMBL18562084 0.75 KMT2A (0.37) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112703180-B Amphiphilic mesogenic organic dyes for customized reflective low dimensional materials 索邦大学 2024-01-23 — — CN disclosed
US-11407743-B2 Amphiphilic and mesogenic organic dyes for tailor-made reflective low-dimensional materials SORBONNE UNIVERSITE (FR) 2022-08-09 — — US disclosed
US-20210122742-A1 Amphiphilic and Mesogenic Organic Dyes for Tailor-Made Reflective Low-Dimensional Materials UNIVERSITÉ PARIS CITÉ (FR) 2021-04-29 — — US disclosed
US-20210122742-A1 Amphiphilic and Mesogenic Organic Dyes for Tailor-Made Reflective Low-Dimensional Materials UNIVERSITÉ PARIS CITÉ (FR) 2021-04-29 — — US disclosed
WO-2020008052-A1 AMPHIPHILIC AND MESOGENIC ORGANIC DYES FOR TAILOR-MADE REFLECTIVE LOW-DIMENSIONAL MATERIALS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2020-01-09 — — 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 (2 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-20210122742-A1 Amphiphilic and Mesogenic Organic Dyes for Tailor-Made Reflective Low-Dimensional Materials MITF, LRAT, APOL1 ALDH1A1 1430/4885CYP1A1 2683/4885CYP1B1 2448/4885
US-11407743-B2 Amphiphilic and mesogenic organic dyes for tailor-made reflective low-dimensional materials MITF, LRAT, APOL1 ALDH1A1 1430/4885CYP1A1 2683/4885CYP1B1 2448/4885

“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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