SCHEMBL6529293

SCHEMBL6529293

CC(O)(CCBr)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.43
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ALOX15 P16050 1/20 0.40
LMNA P02545 1/20 0.40
ESR2 Q92731 3/20 0.39
ESR1 P03372 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL11493975 0.88 CYP2C9 (0.44) CYP2C19CYP3A4CYP2C9
SCHEMBL3190736 0.86 CYP2C19 (0.48) CYP2C19SLC6A4SLC6A3SMN1; SMN2HIF1A
SCHEMBL11690791 0.84 PPARA (0.44) ALDH1A1LMNACYP2C9
SCHEMBL10617967 0.82 CYP2C19 (0.46) CYP2C19SLC6A4SLC6A3SMN1; SMN2HIF1A
SCHEMBL3190448 0.82 SIGMAR1 (0.47) CYP2C19SLC6A4SLC6A3SMN1; SMN2HIF1A
SCHEMBL297345 0.82 CYP2C19 (0.46) CYP2C19SLC6A4SLC6A3SMN1; SMN2HIF1A
SCHEMBL28138629 0.82 CYP2C19 (0.46) CYP2C19SMN1; SMN2HIF1ASIGMAR1ALDH1A1
SCHEMBL3200007 0.82 CYP2C19 (0.50) CYP2C19SLC6A4SLC6A3SMN1; SMN2HIF1A
SCHEMBL957143 0.80 CYP2C19 (0.44) CYP2C19SLC6A4SLC6A3SMN1; SMN2HIF1A
SCHEMBL658690 0.79 KMT2A (0.54) SMN1; SMN2HIF1ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 US disclosed
EP-0779261-A1 Continuous process for racemization of benzylic alcohols, ethers, and esters by solid acid catalyst UOP (US) 1997-06-18 EP disclosed
US-5476964-A Heating and flowing enamtiomorph through acidic ion exchange resin; recycling wastes UOP (US) 1995-12-19 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-20110053909-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 CYP2C19 331/4885SLC6A4 726/4885SLC6A3 232/4885

“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.