SCHEMBL17347948

SCHEMBL17347948

C#CCOc1ccc(C2=C(c3ccccc3)C(=O)C(c3ccccc3)=C2c2ccc(OCC#C)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.57
MAOB P27338 14/20 0.56
MAOA P21397 10/20 0.56
CYP1A1 P04798 3/20 0.51
CYP1A2 P05177 3/20 0.51
CYP1B1 Q16678 1/20 0.51
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
ACHE P22303 1/20 0.45
ADORA2A P29274 1/20 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
SCHEMBL536433 0.84 MAOB (0.68) GSTP1MAOBMAOACYP1A1CYP1A2
SCHEMBL23380165 0.77 GSTP1 (0.42) GSTP1CA1CA2CA9
SCHEMBL72587 0.76 MAOB (0.56) GSTP1MAOBMAOACYP1A1CYP1A2
SCHEMBL9155218 0.76 GSTP1 (0.68) GSTP1MAOBMAOACYP1A1CYP1A2
SCHEMBL13586765 0.76 GSTP1 (0.41) GSTP1CA1CA2CA9
SCHEMBL13586795 0.76 GSTP1 (0.41) GSTP1CA1CA2CA9
SCHEMBL13586792 0.76 GSTP1 (0.41) GSTP1CA1CA2CA9
SCHEMBL13586764 0.76 GSTP1 (0.41) GSTP1CA1CA2CA9
SCHEMBL13586758 0.76 GSTP1 (0.41) GSTP1CA1CA2CA9
SCHEMBL6671636 0.75 ESR1 (0.42) CYP1A1CYP1A2CYP1B1CA12CA1

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
EP-3151919-B1 CARBON MONOXIDE-RELEASING MOLECULES FOR THERAPEUTIC APPLICATIONS AND METHODS OF MAKING AND USING THEREOF UNIV GEORGIA STATE RES FOUND (US) 2023-08-30 EP disclosed
WO-2018093924-A1 CARBON MONOXIDE-RELEASING MOLECULES AND THERAPEUTIC APPLICATIONS THEREOF GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2018-05-24 WO disclosed
US-20170128456-A1 CARBON MONOXIDE-RELEASING MOLECULES FOR THERAPEUTIC APPLICATIONS AND METHODS OF MAKING AND USING THEREOF GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC, (US) 2017-05-11 US disclosed
US-20170128456-A1 CARBON MONOXIDE-RELEASING MOLECULES FOR THERAPEUTIC APPLICATIONS AND METHODS OF MAKING AND USING THEREOF GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC, (US) 2017-05-11 US disclosed
WO-2015191616-A1 CARBON MONOXIDE-RELEASING MOLECULES FOR THERAPEUTIC APPLICATIONS AND METHODS OF MAKING AND USING THEREOF GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2015-12-17 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 (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-20170128456-A1 CARBON MONOXIDE-RELEASING MOLECULES FOR THERAPEUTIC APPLICATIONS AND METHODS OF MAKING AND USING THEREOF MB, CYC1, COX15 GSTP1 2312/4885MAOB 504/4885MAOA 628/4885

“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.