Liquirtigenin

Liquirtigenin

SCHEMBL16240337

C=C(C)C.O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)ccc21

nearest known ligand 0.86

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.86
ESR2 Q92731 2/20 0.86
TUBB4A P04350 1/20 0.86
TUBB P07437 1/20 0.86
YES1 P07947 1/20 0.86
TUBA3C P0DPH7 1/20 0.86
TUBA1B P68363 1/20 0.86
TUBA4A P68366 1/20 0.86
TUBB4B P68371 1/20 0.86
TUBB3 Q13509 1/20 0.86
TUBB2A Q13885 1/20 0.86
TUBB8 Q3ZCM7 1/20 0.86
TUBA3E Q6PEY2 1/20 0.86
TUBA1A Q71U36 1/20 0.86
TUBA1C Q9BQE3 1/20 0.86
TUBB6 Q9BUF5 1/20 0.86
TUBB2B Q9BVA1 1/20 0.86
TUBB1 Q9H4B7 1/20 0.86
MAOB P27338 4/20 0.75
PSMB5 P28074 2/20 0.75

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
Liquirtigenin SCHEMBL26970367 0.93 CYP19A1 (1.00) CYP19A1ESR2TUBB4ATUBBYES1
Liquirtigenin SCHEMBL74552 0.93 CYP19A1 (1.00) CYP19A1ESR2TUBB4ATUBBYES1
Liquirtigenin SCHEMBL30352791 0.93 CYP19A1 (1.00) CYP19A1ESR2TUBB4ATUBBYES1
Liquirtigenin SCHEMBL1071066 0.93 CYP19A1 (1.00) CYP19A1ESR2TUBB4ATUBBYES1
Liquirtigenin SCHEMBL29552383 0.93 CYP19A1 (1.00) CYP19A1ESR2TUBB4ATUBBYES1
Liquirtigenin SCHEMBL4649862 0.92 CYP19A1 (0.97) CYP19A1ESR2TUBB4ATUBBYES1
Liquirtigenin SCHEMBL718387 0.90 CYP19A1 (0.89) CYP19A1ESR2TUBB4ATUBBYES1
SCHEMBL27783109 0.88 CYP19A1 (0.84) CYP19A1ESR2TUBB4ATUBBYES1
SCHEMBL14490032 0.88 CYP19A1 (0.84) CYP19A1ESR2TUBB4ATUBBYES1
SCHEMBL28625916 0.87 CYP19A1 (0.78) CYP19A1ESR2TUBB4ATUBBYES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9757378-B2 Methods to modulate acute myeloid leukemia stem/progenitor cell expansion and/or differentiation UNIVERSITE DE MONTREAL (CA) 2017-09-12 US disclosed
US-20140343051-A1 METHODS TO MODULATE ACUTE MYELOID LEUKEMIA STEM/PROGENITOR CELL EXPANSION AND/OR DIFFERENTIATION HOPITAL MAISONNEUVE-ROSEMONT (CA) 2014-11-20 US 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-20140343051-A1 METHODS TO MODULATE ACUTE MYELOID LEUKEMIA STEM/PROGENITOR CELL EXPANSION AND/OR DIFFERENTIATION MCL1, AHR, MYADM CYP19A1 86/4885ESR2 290/4885TUBB4A 2465/4885

“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.