SCHEMBL3976359

SCHEMBL3976359

CC(C)(Br)C(=O)c1ccc(CC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 6/20 0.51
EPHX2 P34913 1/20 0.51
CA2 P00918 1/20 0.50
CAMK2A Q9UQM7 1/20 0.50
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
AKR1B1 P15121 1/20 0.48
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ABCC4 O15439 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
PTGS1 P23219 1/20 0.47
HTT P42858 1/20 0.47
SRD5A2 P31213 2/20 0.46
KLKB1 P03952 1/20 0.44
CTSB P07858 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
SCHEMBL11815864 0.86 NR1H4 (0.53) NR1H4EPHX2CA2CAMK2ARXRA
SCHEMBL31158021 0.85 NR1H4 (0.51) NR1H4EPHX2CA2CAMK2ARXRA
SCHEMBL4418249 0.82 KMT2A (0.56) NR1H4EPHX2RXRARXRBRXRG
SCHEMBL6687329 0.80 ALDH1A1 (0.57) RXRARXRBALDH1A1HPGDLMNA
SCHEMBL3671949 0.80 CES2 (0.52) NR1H4EPHX2ALDH1A1LMNATSHR
SCHEMBL7495525 0.78 IDO1 (0.41) NR1H4EPHX2ALDH1A1
SCHEMBL3974638 0.77 KMT2A (0.49) HSD17B10
SCHEMBL69614 0.76 CA2 (0.79) CA2CAMK2AAKR1B1ALDH1A1HPGD
SCHEMBL13175610 0.76 ALDH1A1 (0.52) RXRARXRBALDH1A1HPGDHTT
SCHEMBL3673193 0.76 PTGS1 (0.49) ALDH1A1HPGDLMNATSHRPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367743-B2 Adhesion promoting photoinitiators for UV cured coatings over metal surfaces BASF SE (DE) 2013-02-05 US disclosed
US-20090104464-A1 Adhesion promoting photoinitiators for UV cured coatings over metal surfaces IGM GROUP B.V. (NL) 2009-04-23 US disclosed
WO-2009050116-A2 ADHESION PROMOTING PHOTOINITIATORS FOR UV CURED COATINGS OVER METAL SURFACES BASF SE (DE) 2009-04-23 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 (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-20090104464-A1 Adhesion promoting photoinitiators for UV cured coatings over metal surfaces CDH1, PCNA, VCAM1 NR1H4 4169/4885EPHX2 1789/4885CA2 2975/4885

“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.