SCHEMBL21611343

SCHEMBL21611343

COc1cc(N)cc(OC)c1.[Ar]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.65
▸ CYP3A4 P08684 6/20 0.54
▸ CYP19A1 P11511 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ NQO2 P16083 1/20 0.50
▸ CYP1A1 P04798 4/20 0.48
▸ CYP1B1 Q16678 4/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ HTR6 P50406 1/20 0.43
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2E1 P05181 2/20 0.42
▸ CYP2C8 P10632 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ CYP2A6 P11509 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP4B1 P13584 2/20 0.42
▸ CYP2B6 P20813 2/20 0.42

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
SCHEMBL116606 0.97 ALDH1A1 (0.69) ALDH1A1CYP3A4CYP19A1TDP1MAPK1
SCHEMBL30365875 0.94 ALDH1A1 (0.65) ALDH1A1CYP3A4CYP19A1TDP1MAPK1
Hydrochloric Acid SCHEMBL3275940 0.94 ALDH1A1 (0.65) ALDH1A1CYP3A4CYP19A1TDP1MAPK1
Ammonia Solution, Strong SCHEMBL10988442 0.94 ALDH1A1 (0.65) ALDH1A1CYP3A4CYP19A1TDP1MAPK1
SCHEMBL5800828 0.91 ALDH1A1 (0.59) ALDH1A1CYP3A4CYP19A1TDP1MAPK1
SCHEMBL28418203 0.87 ALDH1A1 (0.55) ALDH1A1CYP3A4CYP19A1TDP1MAPK1
Formamide SCHEMBL28158838 0.85 ALDH1A1 (0.52) ALDH1A1CYP3A4CYP19A1TDP1MAPK1
SCHEMBL30839799 0.83 ALDH1A1 (0.50) ALDH1A1CYP3A4CYP19A1TDP1MAPK1
SCHEMBL27185954 0.83 ALDH1A1 (0.50) ALDH1A1CYP3A4CYP19A1TDP1MAPK1
SCHEMBL6981610 0.83 ALDH1A1 (0.50) ALDH1A1CYP3A4CYP19A1MAPK1NQO2

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-11407743-B2 Amphiphilic and mesogenic organic dyes for tailor-made reflective low-dimensional materials SORBONNE UNIVERSITE (FR) 2022-08-09 — — US disclosed
EP-3818039-A1 AMPHIPHILIC AND MESOGENIC ORGANIC DYES FOR TAILOR-MADE REFLECTIVE LOW-DIMENSIONAL MATERIALS Centre National de la Recherche Scientifique (CNRS) (FR) 2021-05-12 — — EP 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 1430/4885CYP3A4 3103/4885CYP19A1 3079/4885
US-11407743-B2 Amphiphilic and mesogenic organic dyes for tailor-made reflective low-dimensional materials MITF, LRAT, APOL1 ALDH1A1 1430/4885CYP3A4 3103/4885CYP19A1 3079/4885

“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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