SCHEMBL75310

SCHEMBL75310

O=C(O)C1(c2ccc(Cl)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TET3 O43151 1/20 0.61
KMT2A Q03164 1/20 0.61
FBXL19 Q6PCT2 1/20 0.61
CXXC5 Q7LFL8 1/20 0.61
KDM2B Q8NHM5 1/20 0.61
CXXC4 Q9H2H0 1/20 0.61
KDM2A Q9Y2K7 1/20 0.61
HSD11B1 P28845 14/20 0.58
AKR1C1 Q04828 2/20 0.55
HDAC4 P56524 1/20 0.55
AKR1C3 P42330 1/20 0.53
AKR1C2 P52895 1/20 0.53
MAP4K4 O95819 2/20 0.50

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
SCHEMBL1794 0.92 AKR1C1 (0.62) TET3KMT2AFBXL19CXXC5KDM2B
SCHEMBL503762 0.92 AKR1C1 (0.68) TET3KMT2AFBXL19CXXC5KDM2B
SCHEMBL694700 0.90 AKR1C1 (0.66) TET3KMT2AFBXL19CXXC5KDM2B
Hydrochloric Acid SCHEMBL5741878 0.90 AKR1C1 (0.66) TET3KMT2AFBXL19CXXC5KDM2B
SCHEMBL1625869 0.87 MAP4K4 (0.61) TET3KMT2AFBXL19CXXC5KDM2B
SCHEMBL4005636 0.87 DRD2 (0.58) TET3KMT2AFBXL19CXXC5KDM2B
SCHEMBL11075416 0.87 KMT2A (0.54) TET3KMT2AFBXL19CXXC5KDM2B
Hydrochloric Acid SCHEMBL4451578 0.85 DRD2 (0.56) TET3KMT2AFBXL19CXXC5KDM2B
SCHEMBL2321735 0.84 HSD11B1 (0.59) TET3KMT2AFBXL19CXXC5KDM2B
SCHEMBL20972037 0.84 TET3 (0.51) TET3KMT2AFBXL19CXXC5KDM2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499121-B1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. HOFFMANN LA ROCHE (CH) 2015-10-07 EP claimed
EP-1742925-B1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS GRUENENTHAL GMBH (DE) 2014-04-23 EP claimed
US-8354441-B2 Oxazoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US claimed
EP-2499121-A1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. F. Hoffmann-La Roche AG (CH) 2012-09-19 EP claimed
US-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 US claimed
US-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US claimed
US-20080039482-A1 SULFONAMIDO-MACROCYCLES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-02-14 US claimed
WO-2007147574-A1 SULFONAMIDO-MACROCYCLES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-27 WO claimed
EP-1870416-A1 Sulphonamido-macrocycles as tie2 inhibitors Bayer Schering Pharma Aktiengesellschaft (DE) 2007-12-26 EP claimed
JP-2007534719-A 2007-11-29 JP claimed
EP-1670470-A1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2006-06-21 EP claimed
WO-2005016884-A9 CYCLOPROPYL DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS LUNDBECK & CO AS H (DK) 2006-03-16 WO claimed
WO-2005105759-A1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS Grünenthal GmbH (DE) 2005-11-10 WO claimed
US-20050234083-A1 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION 2005-10-20 US claimed
WO-2005030209-A1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2005-04-07 WO claimed
EP-1487824-A1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-22 EP claimed
WO-2003074515-A1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 WO claimed
US-5147645-A Insecticides, miticides, nematocides BASF AKTIENGESELLSCHAFT (DE) 1992-09-15 US claimed
US-4859232-A Substituted-aryl cyclopropanecarbonitriles and derivatives thereof as herbicide antidotes MONSANTO COMPANY (US) 1989-08-22 US claimed
EP-0024172-B1 ANTITUMOR AND IMMUNOSUPPRESSIVE 4-CARBAMOYLIMIDAZOLIUM-5-OLATE DERIVATIVES, PHARMACEUTICAL COMPOSITION AND PRODUCTION THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-05-11 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20050234083-A1 Diamino-pyrimidines and their use as angiogenesis inhibitors TIE1, TEK, KDR TET3 780/4885KMT2A 366/4885FBXL19 1556/4885
US-20080039482-A1 SULFONAMIDO-MACROCYCLES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME TIE1, KDR, TEK TET3 3602/4885KMT2A 522/4885FBXL19 1472/4885

“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.