SCHEMBL9911341

SCHEMBL9911341

CC(C)Nc1ccc(/C=C/C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.61
KDM4E B2RXH2 4/20 0.61
CA12 O43570 3/20 0.53
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA7 P43166 3/20 0.53
CA9 Q16790 3/20 0.53
CA14 Q9ULX7 3/20 0.53
HCAR2 Q8TDS4 2/20 0.53
AKR1B10 O60218 2/20 0.53
CA3 P07451 2/20 0.53
AKR1B1 P15121 2/20 0.53
CA4 P22748 2/20 0.53
CA6 P23280 2/20 0.53
DPP4 P27487 2/20 0.53
CA5A P35218 2/20 0.53
CA5B Q9Y2D0 2/20 0.53
PKM P14618 2/20 0.53
TYR P14679 2/20 0.53
ESR1 P03372 1/20 0.53

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
SCHEMBL12894537 0.82 MAPK1 (0.49) MAPK1KDM4ECA12CA1CA2
SCHEMBL4262495 0.80 THRB (0.54) MAPK1KDM4ECA12CA1CA2
SCHEMBL1881515 0.80 MAPT (0.69) MAPK1KDM4ECA12CA1CA2
SCHEMBL2134110 0.80 MAPT (0.69) MAPK1KDM4ECA12CA1CA2
SCHEMBL31708315 0.79 CA12 (0.59) MAPK1KDM4ECA12CA1CA2
Fumaric Acid SCHEMBL31390646 0.79 TDP1 (0.68) KDM4ECA12CA9HCAR2HDAC3
SCHEMBL9912440 0.79 CA12 (0.59) MAPK1KDM4ECA12CA1CA2
Methyl Alcohol SCHEMBL8740652 0.79 MAPT (0.67) MAPK1KDM4ECA12CA1CA2
SCHEMBL713717 0.78 HCAR2 (0.81) MAPK1KDM4ECA12CA1CA2
SCHEMBL68395 0.78 HCAR2 (0.81) MAPK1KDM4ECA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160347789-A1 Method for purification of antibodies, antibody fragments or engineered variants thereof using specific anthraquinone dye-ligand structures BASF SE (DE) 2016-12-01 US disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-7888363-B2 1-Cyclopentyl-3-methyl-2-(2-pyridyl)indole-5-amino/thio/carbonyl derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-15 US disclosed
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 US disclosed
US-7517998-B2 Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2009-04-14 US disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 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-20160347789-A1 Method for purification of antibodies, antibody fragments or engineered variants thereof using specific anthraquinone dye-ligand structures ANTXR2, FCGR3B, IGLV6-57 MAPK1 4193/4885KDM4E 2272/4885CA12 579/4885
US-20070142380-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A MAPK1 940/4885KDM4E 3117/4885CA12 4135/4885
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors RTF1, POLR1A, POLR1E MAPK1 2421/4885KDM4E 2038/4885CA12 4839/4885

“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.