SCHEMBL14901604

SCHEMBL14901604

C#CCOc1ccc(Sc2ccc(O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.50
▸ MGAM O43451 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ SI P14410 1/20 0.45
▸ MGAM2 Q2M2H8 1/20 0.45
▸ CA12 O43570 2/20 0.45
▸ CA1 P00915 2/20 0.45
▸ CA4 P22748 2/20 0.45
▸ CA9 Q16790 2/20 0.45
▸ GSTP1 P09211 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA7 P43166 1/20 0.45
▸ MAOA P21397 4/20 0.41
▸ MAOB P27338 4/20 0.41
▸ ACHE P22303 1/20 0.41
▸ LTA4H P09960 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ PTGS2 P35354 2/20 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
SCHEMBL975819 0.89 CA12 (0.53) MGAMGAASIMGAM2CA12
SCHEMBL14901605 0.83 GSTP1 (0.58) MGAMGAASIMGAM2CA12
SCHEMBL14901603 0.83 LTA4H (0.57) NR1H2MGAMGAASIMGAM2
SCHEMBL14901553 0.79 CA12 (0.42) CA12CA1CA4CA9GSTP1
SCHEMBL14901574 0.78 CA12 (0.41) CA12CA1CA4CA9GSTP1
SCHEMBL5704167 0.78 CA12 (0.63) GAACA12CA1CA4CA9
SCHEMBL12516200 0.77 CYP19A1 (0.54) MGAMGAASIMGAM2CA12
SCHEMBL16561518 0.77 GAA (0.51) GAAMAOAMAOBLTA4HLMNA
SCHEMBL14901532 0.77 AR (0.45) CA12CA1CA4CA9GSTP1
SCHEMBL15805612 0.76 ESR1 (0.53) MGAMGAASIMGAM2CA12

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-20130109758-A1 BISPHENOL DERIVATIVE THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-05-02 — — US disclosed
US-20130109758-A1 BISPHENOL DERIVATIVE THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-05-02 — — 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-20130109758-A1 BISPHENOL DERIVATIVE THERAPEUTICS AND METHODS FOR THEIR USE SHBG, KLK3, HSD17B11 NR1H2 63/4885MGAM 4219/4885GAA 2231/4885

“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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