SCHEMBL3606244

SCHEMBL3606244

CCC(Br)c1ccc(OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CYP17A1 P05093 1/20 0.47
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 1/20 0.46
AOC3 Q16853 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 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
SCHEMBL9772487 0.83 CA12 (0.44) MIFCA12CA1CA2CA7
SCHEMBL10606992 0.83 MIF (0.49) MIFCA12CA1CA2CA7
SCHEMBL10481598 0.83 CA12 (0.48) MIFCA12CA1CA2CA7
SCHEMBL28217716 0.82 ESR1 (0.55) MIFCA12CA1CA2CA7
SCHEMBL6981462 0.81 TSHR (0.52) CA12CA1CA2CA7CA9
SCHEMBL6682760 0.80 MMP13 (0.44) MIFCA12CA1CA2CA7
SCHEMBL17666418 0.78 AOC3 (0.59) MIFCA12CA1CA2CA7
SCHEMBL27376923 0.78 CA12 (0.42) MIFCA12CA1CA2CA7
SCHEMBL27939093 0.78 ESR1 (0.36) MIFCYP17A1ALDH1A1CYP1A2CYP2D6
SCHEMBL4705880 0.77 FFAR1 (0.53) MIFCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303788-A1 METHOD OF PRODUCING BIPHENOLIC COMPOUND, NOVEL BIPHENYL COMPOUND AND SYNTHESIS METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR TREATING PARKINSON'S DISEASE TZU CHI UNIVERSITY (TW) 2013-11-14 US disclosed
US-8071774-B2 Heterocyclic spiro-compounds as aldosterone synthase inhibitors NOVARTIS AG (CH) 2011-12-06 US disclosed
US-20100317679-A1 SUBSTITUTED ARYL-FUSED SPIROCYCLIC AMINES LIGAND PHARMACEUTICALS, INC. (US) 2010-12-16 US disclosed
US-20100010015-A1 Heterocyclic spiro-compounds as aldosterone synthase inhibitors NOVARTIS AG (CH) 2010-01-14 US disclosed
WO-2009039431-A2 SUBSTITUTED ARYL-FUSED SPIROCYCLIC AMINES NEUROGEN CORPORATION (US) 2009-03-26 WO disclosed
EP-1896481-A2 HETEROCYCLIC SPIRO-COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS Speedel Experimenta AG (CH) 2008-03-12 EP disclosed
WO-2006128852-A2 HETEROCYCLIC SPIRO-COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-12-07 WO disclosed
EP-0441852-A1 MUSCARINIC RECEPTOR ANTAGONISTS. PFIZER LTD (GB) 1991-08-21 EP disclosed
US-4001229-A ALKANESULFONAMIDO TRIPHENYLETHYLENES MEAD JOHNSON & COMPANY (US) 1977-01-04 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-20130303788-A1 METHOD OF PRODUCING BIPHENOLIC COMPOUND, NOVEL BIPHENYL COMPOUND AND SYNTHESIS METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR TREATING PARKINSON'S DISEASE PARK7, DBH, SNCA MIF 4660/4885CA12 4147/4885CA1 4159/4885
US-20100317679-A1 SUBSTITUTED ARYL-FUSED SPIROCYCLIC AMINES HRH3, HRH4, HRH2 MIF 2162/4885CA12 2257/4885CA1 1765/4885
US-20100010015-A1 Heterocyclic spiro-compounds as aldosterone synthase inhibitors REN, NR3C2, CYP21A2 MIF 3163/4885CA12 3761/4885CA1 3009/4885

“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.