SCHEMBL201236

SCHEMBL201236

CC(=O)c1cc(O)cc(Br)c1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.70
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 2/20 0.42
MTOR P42345 1/20 0.41
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA7 P43166 4/20 0.41
CA9 Q16790 4/20 0.41
CA14 Q9ULX7 4/20 0.41
HSD17B1 P14061 2/20 0.40
HCAR1 Q9BXC0 1/20 0.39
MGLL Q99685 1/20 0.37
MAOB P27338 4/20 0.37
FASN P49327 1/20 0.37
MAOA P21397 1/20 0.37

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
SCHEMBL15709749 0.85 CA5A (0.52) CA5AMEN1HPGDKMT2ALMNA
SCHEMBL343284 0.85 CA5A (0.52) CA5AMEN1HPGDKMT2ALMNA
SCHEMBL96189 0.83 CA5A (1.00) CA5AMEN1CYP3A4HPGDKMT2A
SCHEMBL7307023 0.83 CA5A (0.89) CA5AMEN1CYP3A4HPGDKMT2A
SCHEMBL10546235 0.81 CES2 (0.44) CA5ACYP3A4MTORCA12CA1
Water SCHEMBL3182721 0.80 CA5A (0.94) CA5AMEN1CYP3A4HPGDKMT2A
SCHEMBL29422455 0.79 CA12 (0.68) CA5AMEN1CYP3A4HPGDKMT2A
SCHEMBL29547990 0.79 TPMT (0.46) CA5AMEN1HPGDKMT2ALMNA
SCHEMBL200289 0.79 CA12 (0.68) CA5AMEN1CYP3A4HPGDKMT2A
SCHEMBL7786069 0.79 TPMT (0.46) CA5AMEN1HPGDKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3406142-B1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS CELGENE INT II SARL (CH) 2020-12-23 EP disclosed
US-9938204-B2 Intermolecular C-H silylation of unactivated arenes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-04-10 US disclosed
US-9938204-B2 Intermolecular C-H silylation of unactivated arenes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-04-10 US disclosed
US-20160200639-A1 INTERMOLECULAR C-H SILYLATION OF UNACTIVATED ARENES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-07-14 US disclosed
US-20160200639-A1 INTERMOLECULAR C-H SILYLATION OF UNACTIVATED ARENES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-07-14 US disclosed
EP-2411358-A1 LEUKOTRIENE B4 INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-01 EP disclosed
US-8088936-B2 Leukotriene B4 inhibitors HOFFMAN-LA ROCHE INC. (US) 2012-01-03 US disclosed
US-8088936-B2 Leukotriene B4 inhibitors HOFFMAN-LA ROCHE INC. (US) 2012-01-03 US disclosed
US-8088936-B2 Leukotriene B4 inhibitors HOFFMAN-LA ROCHE INC. (US) 2012-01-03 US disclosed
WO-2010108856-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO disclosed
WO-2010108856-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO disclosed
US-20100240678-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2010-09-23 US disclosed
US-20100240678-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2010-09-23 US disclosed
US-20100240678-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2010-09-23 US disclosed
US-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 US disclosed
WO-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2008-01-17 WO 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-20160200639-A1 INTERMOLECULAR C-H SILYLATION OF UNACTIVATED ARENES CCNH, CTTN, CCRL2 CA5A 3854/4885MEN1 3031/4885CYP3A4 101/4885
US-20100240678-A1 LEUKOTRIENE B4 INHIBITORS LTB4R2, LTB4R, LTC4S CA5A 2226/4885MEN1 4324/4885CYP3A4 402/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 CA5A 41/4885MEN1 1354/4885CYP3A4 2281/4885

“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.