SCHEMBL14754591

SCHEMBL14754591

BrCC(CCI)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
TSHR P16473 2/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
CASP1 P29466 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
IDO1 P14902 1/20 0.38
TRPA1 O75762 1/20 0.37
AGXT P21549 1/20 0.36
SLC6A2 P23975 1/20 0.36

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
SCHEMBL872358 0.86 TSHR (0.48) ALDH1A1TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL871423 0.79 TSHR (0.41) ALDH1A1TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL11448991 0.79 TSHR (0.41) ALDH1A1TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL18555483 0.79 TSHR (0.44) ALDH1A1TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL23668796 0.78 ALDH1A1 (0.40) ALDH1A1TSHRHPGDALOX15ALOX12
SCHEMBL27876875 0.76 PSMB5 (0.41) ALDH1A1TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL11281953 0.76 ATM (0.40) ALDH1A1TSHRHPGDSLC1A3SLC1A2
SCHEMBL9188228 0.75 IDO1 (0.36) TSHRSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL3778472 0.75 TSHR (0.44) ALDH1A1TSHRHPGDALOX15ALOX12
SCHEMBL7011964 0.74 TSHR (0.48) ALDH1A1TSHRSLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059846-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS IRM LLC (BM) 2013-03-07 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-20130059846-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS KIT, PDGFRA, PDGFRB ALDH1A1 1538/4885TSHR 4686/4885HPGD 3740/4885

“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.