SCHEMBL2277677

SCHEMBL2277677

COc1ccc(C(Cl)c2ccc(OC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA7 P43166 2/20 0.58
CA9 Q16790 2/20 0.58
CA12 O43570 1/20 0.58
CA14 Q9ULX7 1/20 0.58
TDP1 Q9NUW8 4/20 0.58
MAPK1 P28482 3/20 0.58
ALDH1A1 P00352 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
TSHR P16473 1/20 0.58
SLC2A1 P11166 1/20 0.48
ACHE P22303 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL874908 0.91 ACP3 (0.56) CA1CA2CA7CA9CA12
SCHEMBL9341168 0.87 LTA4H (0.59) CA1CA2CA7CA9CA12
SCHEMBL28806943 0.85 ALDH1A1 (0.51) TDP1MAPK1ALDH1A1L3MBTL1TSHR
SCHEMBL9318733 0.84 CA1 (0.58) CA1CA2CA7CA9CA12
SCHEMBL9165325 0.84 MAOA (0.49) CA1CA2CA7CA9CA12
SCHEMBL365643 0.82 TDP1 (0.56) CA1CA2CA7CA9CA12
SCHEMBL7768379 0.80 TDP1 (0.54) CA1CA2CA7CA9CA12
SCHEMBL4810833 0.80 TDP1 (0.54) CA1CA2CA7CA9CA12
SCHEMBL11602455 0.78 MAPK1 (0.52) CA1CA2CA7CA9CA12
SCHEMBL14622110 0.78 ALDH1A1 (0.43) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
EP-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
US-7989649-B2 Tumor imaging compounds EMORY UNIVERSITY (US) 2011-08-02 US disclosed
EP-2110380-B1 Alpha-N-methylation of amino acids HOFFMANN LA ROCHE (CH) 2010-11-10 EP disclosed
EP-1499584-B1 TUMOR IMAGING COMPOUNDS UNIV EMORY (US) 2010-08-18 EP disclosed
EP-1641465-B1 COMBINATIONS OF AN ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONIST AND A CORTICOSTEROID THERAVANCE INC (US) 2009-11-04 EP disclosed
US-20090264620-A1 N-Methylation of amino acids ROCHE PALO ALTO LLC 2009-10-22 US disclosed
EP-2110380-A1 Alpha-N-methylation of amino acids F. HOFFMANN-LA ROCHE AG (CH) 2009-10-21 EP disclosed
US-20090240041-A1 TUMOR IMAGING COMPOUNDS EMORY UNIVERSITY (US) 2009-09-24 US disclosed
US-7582765-B2 Aryl aniline β2 adrenergic receptor agonists THERAVANCE, INC. (US) 2009-09-01 US disclosed
US-5175164-A Hypotensive agents MERCK & CO., INC. (US) 1992-12-29 US disclosed
EP-0517357-A1 Angiotensin II antagonists incorporating a substituted indole or dihydroindole MERCK & CO. INC. (US) 1992-12-09 EP disclosed
EP-0515535-A1 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO. INC. (US) 1992-12-02 EP disclosed
EP-0512676-A1 Angiotensin II antagonists incorporating a substituted benzyl element MERCK & CO. INC. (US) 1992-11-11 EP disclosed
US-5162325-A ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO., INC. (US) 1992-11-10 US disclosed
WO-1991012001-A1 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO., INC. (US) 1991-08-22 WO disclosed
US-4188226-A OXIDIZER, REDUCER, HALOGENATED CARBOCYCLIC COMPOUND ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1980-02-12 US disclosed
US-4118561-A ANTIBACTERIAL, SYNERGISTIC, ANTI-CANCER ACTIVITY, ANTI-FOLIC ACID ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 1978-10-03 US disclosed
US-3937699-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1976-02-10 US disclosed
US-3936491-A Adamantylene compounds U.S. PHILIPS CORPORATION (US) 1976-02-03 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 (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-20090240041-A1 TUMOR IMAGING COMPOUNDS AADAT, MKI67, SSTR1 CA1 113/4885CA2 1048/4885CA7 336/4885
US-20090264620-A1 N-Methylation of amino acids MGMT, NNMT, PRMT1 CA1 2276/4885CA2 4131/4885CA7 3240/4885

“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.