SCHEMBL319241

SCHEMBL319241

CC(C)(C)c1cccc(C(=O)O)c1CBr

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.42
CA2 P00918 2/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 1/20 0.38
TAS2R14 Q9NYV8 2/20 0.37
RBP4 P02753 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
NR1H4 Q96RI1 1/20 0.36
CA12 O43570 3/20 0.36
CA9 Q16790 3/20 0.36
TSHR P16473 2/20 0.35
NR4A1 P22736 1/20 0.35
NR4A2 P43354 1/20 0.35
NR4A3 Q92570 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35

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
SCHEMBL16418617 0.84 ALOX15 (0.43) ALOX15CA2ALDH1A1KDM4EHPGD
SCHEMBL2207015 0.83 ALOX15 (0.42) ALOX15CA2ALDH1A1KDM4EHPGD
SCHEMBL27338933 0.81 ALDH1A1 (0.52) ALOX15CA2ALDH1A1KDM4EHPGD
SCHEMBL28680684 0.79 CA12 (0.41) ALOX15ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9047787 0.78 ALOX15 (0.38) ALOX15CA2ALDH1A1KDM4EHPGD
SCHEMBL9592737 0.77 NR1H4 (0.35) ALDH1A1KDM4ERXRBNR1H4TSHR
SCHEMBL104704 0.77 ALDH1A1 (0.55) ALOX15ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL21810462 0.77 TAS2R14 (0.46) ALOX15CA2ALDH1A1KDM4EHPGD
SCHEMBL31028133 0.75 ALDH1A1 (0.56) ALOX15CA2ALDH1A1KDM4EHPGD
SCHEMBL39249 0.75 ALDH1A1 (0.56) ALOX15CA2ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3138841-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2017-03-08 EP disclosed
US-9156840-B2 D2 antagonists, methods of synthesis and methods of use Altos Therapeutics, LLC (US) 2015-10-13 US disclosed
US-20140350005-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-27 US disclosed
EP-2582701-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2013-04-24 EP disclosed
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC 2012-01-12 US disclosed
WO-2011160084-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2011-12-22 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 (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-20140350005-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 ALOX15 2317/4885CA2 1298/4885ALDH1A1 873/4885
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 ALOX15 2317/4885CA2 1298/4885ALDH1A1 873/4885

“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.