SCHEMBL299808

SCHEMBL299808

COC(=O)c1c[c]c(OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA12 O43570 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
TSHR P16473 1/20 0.45
MAPT P10636 7/20 0.44
ALDH1A1 P00352 4/20 0.44
XDH P47989 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
KDM4E B2RXH2 5/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPK1 P28482 2/20 0.42
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GLA P06280 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
SCHEMBL7405389 0.84 CA1 (0.44) CA1CA2CA12CA7CA9
SCHEMBL160742 0.82 MAPT (0.42) CA1CA2MAPTALDH1A1MEN1
SCHEMBL2928282 0.82 CA1 (0.50) CA1CA2CA12CA7CA9
SCHEMBL8181944 0.82 CA12 (0.51) CA1CA2CA12CA7CA9
SCHEMBL745459 0.81 PLK1 (0.55) CA1CA2TSHRALDH1A1HPGD
SCHEMBL1303876 0.81 PARP10 (0.52) CA1CA2TSHRALDH1A1KMT2A
SCHEMBL6197887 0.80 CA1 (0.57) CA1CA2CA12CA7CA9
SCHEMBL21268182 0.79 MAPT (0.50) CA1CA2TDP1TSHRMAPT
SCHEMBL3062615 0.78 CA1 (0.50) CA1CA2CA12CA7CA9
SCHEMBL1459630 0.78 TDP1 (0.55) CA1CA2CA12CA7CA9

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009034386-A1 DERIVATIVES OF ADENINE AND 8-AZA-ADENINE AND USES THEREOF-796 ASTRAZENECA AB (SE) 2009-03-19 WO claimed
US-6436961-B1 SUBSTANCE P RECEPTOR ANTAGONIST; 2-PHENYL-3-BENZYLAMINOPIPERIDINES PFIZER INC 2002-08-20 US claimed
US-4857543-A TREATMENT OF GASTROINTESTINAL DISORDERS TANABE SEIYAKU CO., LTD. (JP) 1989-08-15 US claimed
EP-0297782-A1 A thiophene derivative and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1989-01-04 EP claimed
US-20190152974-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2019-05-23 US disclosed
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections GILEAD SCIENCES, INC. (US) 2018-12-04 US disclosed
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-30 US disclosed
US-8598162-B2 Derivatives of 4-piperazin-1-yl-4-benzo[B]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-12-03 US disclosed
US-8273740-B2 antiallergen; not direct way to change nature of immunological response to allergen; G-protein-coupled \"chemoattractant receptor-homologous molecule expressed on Th2 cells (CRTH2)\" antagonist for prostaglandin PGD2, that mediates PGD2-dependent migration of blood Th2 cells; ; asthma, rhinitis, COPD ACTELION PHARMACEUTICALS, LTD. (CH) 2012-09-25 US disclosed
EP-2287161-B1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2012-05-09 EP disclosed
EP-2287162-B1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2012-05-09 EP disclosed
EP-2284169-B1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2012-03-14 EP disclosed
WO-1998008841-A1 NEW THIAZOLE DERIVATIVES WITH PHOSPHODIESTERASE-INHIBITING EFFECT BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-03-05 WO disclosed
US-5677319-A THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-10-14 US disclosed
US-5643932-A PREVENTS CELL DAMAGE AFTER ISCHEMIA AND RE-PERFUSION, SUBSTITUTED THIAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 EP disclosed
US-4857543-A TREATMENT OF GASTROINTESTINAL DISORDERS TANABE SEIYAKU CO., LTD. (JP) 1989-08-15 US disclosed
EP-0297782-A1 A thiophene derivative and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1989-01-04 EP disclosed
EP-0284099-A2 Silver halide color photographic materials FUJI PHOTO FILM CO., LTD. (JP) 1988-09-28 EP disclosed
US-4684664-A BACTERICIDES, FUNGICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1987-08-04 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-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 CA1 2977/4885CA2 2731/4885CA12 3345/4885
US-20190152974-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 CA1 4862/4885CA2 4671/4885CA12 4816/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 CA1 4862/4885CA2 4671/4885CA12 4816/4885

“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.