SCHEMBL9718528

SCHEMBL9718528

C#CCOc1ccc(C(=O)Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.50
CA4 P22748 3/20 0.50
CA9 Q16790 3/20 0.50
CYP19A1 P11511 2/20 0.50
CA1 P00915 2/20 0.50
GSTP1 P09211 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
MAOB P27338 6/20 0.43
MAOA P21397 4/20 0.43
ACHE P22303 1/20 0.42
HDAC3 O15379 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
NCOR2 Q9Y618 2/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL26673955 0.95 CYP19A1 (0.56) CA12CA4CA9CYP19A1CA1
SCHEMBL12517362 0.85 CYP19A1 (0.59) CA12CA4CA9CYP19A1CA1
SCHEMBL16561436 0.85 CA12 (0.53) CA12CA4CA9CYP19A1CA1
SCHEMBL26673938 0.83 CYP19A1 (0.56) CA12CA4CA9CYP19A1CA1
SCHEMBL30640587 0.83 CYP19A1 (0.56) CA12CA4CA9CYP19A1CA1
SCHEMBL4398919 0.83 PKM (0.56) CA12CA4CA9CA1GSTP1
SCHEMBL20273256 0.81 PARP10 (0.59) CA12CA4CA9CA1GSTP1
SCHEMBL9155792 0.81 L3MBTL1 (0.61) CA12CA4CA9CA1GSTP1
SCHEMBL28721563 0.81 CA12 (0.50) CA12CA4CA9CYP19A1CA1
SCHEMBL3697699 0.81 GSTP1 (0.42) CA12CA4CA9CYP19A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114989427-B Polytriazole resin toughened by propargyl polypropylene glycol, preparation method and application thereof 华东理工大学 2023-11-14 CN claimed
CN-114989427-A Polytriazole resin toughened by propargyl polypropylene glycol, and preparation method and application thereof 华东理工大学 2022-09-02 CN claimed
CN-114989427-B Polytriazole resin toughened by propargyl polypropylene glycol, preparation method and application thereof 华东理工大学 2023-11-14 CN disclosed
CN-114989427-A Polytriazole resin toughened by propargyl polypropylene glycol, and preparation method and application thereof 华东理工大学 2022-09-02 CN disclosed
US-10450281-B1 Compounds and methods for treating cancer DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-10-22 US disclosed
EP-3424909-A1 A POLY (ADP-RIBOSE) POLYMERASE-1 (PARP-1) INHIBITOR AND USES THEREFOR Washington University (US) 2019-01-09 EP disclosed
US-20180326100-A1 Radiolabeled Tracers for Poly (ADP-RIBOSE) Polymerase-1 (PARP-1), Methods and Uses Therefor WASHINGTON UNIVERSITY 2018-11-15 US disclosed
EP-3089965-B1 RADIOLABELED TRACERS FOR POLY (ADP-RIBOSE) POLYMERASE-1 (PARP-1), METHODS AND USES THEREFOR UNIV WASHINGTON (US) 2018-08-29 EP disclosed
US-9993570-B2 Radiolabeled tracers for poly (ADP-ribose) polymerase-1 (PARP-1), methods and uses therefor WASHINGTON UNIVERSITY (US) 2018-06-12 US disclosed
US-9725425-B1 Compounds and methods for treating cancer DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-08-08 US disclosed
US-20160339124-A1 RADIOLABELED TRACERS FOR POLY (ADP-RIBOSE) POLYMERASE-1 (PARP-1), METHODS AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-11-24 US disclosed
EP-3089965-A1 RADIOLABELED TRACERS FOR POLY (ADP-RIBOSE) POLYMERASE-1 (PARP-1), METHODS AND USES THEREFOR Washington University (US) 2016-11-09 EP disclosed
WO-2015103526-A1 RADIOLABELED TRACERS FOR POLY (ADP-RIBOSE) POLYMERASE-1 (PARP-1), METHODS AND USES THEREFOR WASHINGTON UNIVERSITY (US) 2015-07-09 WO disclosed
US-5155196-A Derived from propargyl ethers, cyclization to chromenes; waterproof, heat and solvent resistant; structural materials THE DOW CHEMICAL COMPANY (US) 1992-10-13 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 (3 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-20180326100-A1 Radiolabeled Tracers for Poly (ADP-RIBOSE) Polymerase-1 (PARP-1), Methods and Uses Therefor PARP4, PARP1, PARP11 CA12 4012/4885CA4 3329/4885CA9 4295/4885
US-10450281-B1 Compounds and methods for treating cancer USP8, USP2, NEDD8 CA12 327/4885CA4 1454/4885CA9 751/4885
US-20160339124-A1 RADIOLABELED TRACERS FOR POLY (ADP-RIBOSE) POLYMERASE-1 (PARP-1), METHODS AND USES THEREFOR PARP4, PARP11, PARP1 CA12 4161/4885CA4 4076/4885CA9 4534/4885

“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.