SCHEMBL14901574

SCHEMBL14901574

C#CCOc1ccc(Sc2ccc(OCCCBr)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.41
▸ CA4 P22748 5/20 0.41
▸ CA9 Q16790 5/20 0.41
▸ CA1 P00915 3/20 0.41
▸ CA2 P00918 2/20 0.41
▸ GSTP1 P09211 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ MAOA P21397 9/20 0.39
▸ MAOB P27338 9/20 0.39
▸ ACHE P22303 2/20 0.39
▸ PTGS2 P35354 2/20 0.35
▸ BCHE P06276 1/20 0.33
▸ HDAC3 O15379 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ NCOR2 Q9Y618 1/20 0.32
▸ CYP1A1 P04798 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32

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
SCHEMBL14901553 0.85 CA12 (0.42) CA12CA4CA9CA1CA2
SCHEMBL12517712 0.85 GSTP1 (0.53) CA12CA4CA9CA1CA2
SCHEMBL14901573 0.85 CA12 (0.45) CA12CA4CA9CA1CA2
SCHEMBL12517715 0.82 HRH3 (0.36) CA12CA4CA9CA1CA2
SCHEMBL14962824 0.78 SMN1; SMN2 (0.44) CA12CA4CA9CA1CA2
SCHEMBL12516483 0.78 CYP19A1 (0.50) CA12CA4CA9CA1CA2
SCHEMBL14901604 0.78 NR1H2 (0.50) CA12CA4CA9CA1CA2
SCHEMBL31725799 0.75 CA12 (0.45) CA12CA4CA9CA1CA2
SCHEMBL5704167 0.74 CA12 (0.63) CA12CA4CA9CA1CA2
SCHEMBL2530176 0.74 KCNA3 (0.50) —

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 CA12 1486/4885CA4 1520/4885CA9 1254/4885

“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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