SCHEMBL9912440

SCHEMBL9912440

CNc1ccc(/C=C/C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.59
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
CA3 P07451 3/20 0.59
CA4 P22748 3/20 0.59
CA6 P23280 3/20 0.59
CA5A P35218 3/20 0.59
CA7 P43166 3/20 0.59
CA9 Q16790 3/20 0.59
CA14 Q9ULX7 3/20 0.59
CA5B Q9Y2D0 3/20 0.59
PKM P14618 3/20 0.59
HCAR2 Q8TDS4 2/20 0.59
AKR1B10 O60218 2/20 0.59
AKR1B1 P15121 2/20 0.59
DPP4 P27487 2/20 0.59
ESR1 P03372 2/20 0.59
ESR2 Q92731 2/20 0.59
TYR P14679 1/20 0.59
HDAC3 O15379 2/20 0.57

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
SCHEMBL31708315 1.00 CA12 (0.59) CA12CA1CA2CA3CA4
SCHEMBL68395 0.82 HCAR2 (0.81) CA12CA1CA2CA3CA4
SCHEMBL713717 0.82 HCAR2 (0.81) CA12CA1CA2CA3CA4
SCHEMBL14081549 0.82 HCAR2 (0.81) CA12CA1CA2CA3CA4
SCHEMBL27497699 0.82 APP (0.55) CA12CA1CA2CA7CA9
SCHEMBL14188101 0.82 HDAC8 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7746671 0.82 ALDH1A1 (0.53) CA12CA1CA2CA3CA4
SCHEMBL7746675 0.82 ALDH1A1 (0.53) CA12CA1CA2CA3CA4
SCHEMBL7017618 0.81 MAPT (0.65) ESR1ESR2HDAC3HDAC4HDAC1
SCHEMBL7017616 0.81 MAPT (0.65) ESR1ESR2HDAC3HDAC4HDAC1

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
EP-3102637-B1 METHOD FOR PURIFICATION OF ANTIBODIES, ANTIBODY FRAGMENTS OR ENGINEERED VARIANTS THEREOF USING SPECIFIC ANTHRAQUINONE DYE-LIGAND STRUCTURES BASF SE (DE) 2018-04-11 EP disclosed
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
EP-2918641-A1 Method for purification of antibodies, antibody fragments or engineered variants thereof using specific anthraquinone dye-ligand structures BASF SE (DE) 2015-09-16 EP disclosed
WO-2015117984-A1 METHOD FOR PURIFICATION OF ANTIBODIES, ANTIBODY FRAGMENTS OR ENGINEERED VARIANTS THEREOF USING SPECIFIC ANTHRAQUINONE DYE-LIGAND STRUCTURES BASF SE (DE) 2015-08-13 WO disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
WO-2010123996-A1 METHODS AND SYSTEMS FOR TREATING CELL PROLIFERATION DISORDERS WITH PSORALEN DERIVATIVES IMMUNOLIGHT, LLC (US) 2010-10-28 WO disclosed
US-7534421-B2 s-Triazine compounds bearing at least one para-aminobenzalmalonic salt substituent and photoprotective cosmetic compositions comprised thereof L'OREAL (FR) 2009-05-19 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 (1 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 CA12 579/4885CA1 1961/4885CA2 3067/4885

“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.