SCHEMBL7112192

SCHEMBL7112192

COC(=O)CC(C)c1ccccc1Br

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.56
CYP2C9 P11712 1/20 0.56
HTT P42858 2/20 0.49
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
KCNA5 P22460 1/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 3/20 0.38
CYP26A1 O43174 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL8435913 0.84 NLRP3 (0.45) CYP2C19CYP2C9HTTALDH1A1TSHR
SCHEMBL28036323 0.83 CYP2C19 (0.52) CYP2C19CYP2C9HTTALDH1A1CYP3A4
SCHEMBL8770955 0.83 CYP2C19 (0.52) CYP2C19CYP2C9HTTALDH1A1CYP3A4
SCHEMBL12290669 0.81 NR3C2 (0.42) CYP2C19CYP2C9HTTALDH1A1KDM4E
SCHEMBL17754986 0.81 HTT (0.51) HTTALDH1A1KMT2AKCNA5MAPT
SCHEMBL31296529 0.81 HTT (0.49) CYP2C19CYP2C9HTTALDH1A1CYP3A4
SCHEMBL1613850 0.81 HTT (0.49) CYP2C19CYP2C9HTTALDH1A1CYP3A4
SCHEMBL31626979 0.80 CYP2C9 (0.50) CYP2C19CYP2C9HTTALDH1A1TSHR
SCHEMBL17749159 0.80 ADRB2 (0.45) ALDH1A1KCNA5MAPTRAB9ALMNA
SCHEMBL26455960 0.80 MEN1 (0.48) CYP2C19CYP2C9ALDH1A1CYP3A4KMT2A

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
US-20250289793-A1 MACROCYCLIC INHIBITORS OF ATP CITRATE LYASE ESPERION THERAPEUTICS, INC. 2025-09-18 US disclosed
EP-4519251-A1 MACROCYCLIC INHIBITORS OF ATP CITRATE LYASE Esperion Therapeutics, Inc. (US) 2025-03-12 EP disclosed
WO-2023215220-A1 MACROCYCLIC INHIBITORS OF ATP CITRATE LYASE ESPERION THERAPEUTICS, INC. (US) 2023-11-09 WO disclosed
US-20180170884-A1 ANTI-HCMV COMPOSITIONS AND METHODS FORGE LIFE SCIENCE, LLC 2018-06-21 US disclosed
WO-2016077240-A2 ANTI-HCMV COMPOSITIONS AND METHODS FORGE LIFE SCIENCE, LLC (US) 2016-05-19 WO disclosed
EP-1358163-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2003-11-05 EP disclosed
WO-2002059095-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2002-08-01 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-20180170884-A1 ANTI-HCMV COMPOSITIONS AND METHODS RPL35, RPL7, RPL5 CYP2C19 4784/4885CYP2C9 4795/4885HTT 3200/4885
US-20250289793-A1 MACROCYCLIC INHIBITORS OF ATP CITRATE LYASE ACLY, CS, ATP5ME CYP2C19 980/4885CYP2C9 887/4885HTT 2063/4885

“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.