SCHEMBL6828147

SCHEMBL6828147

COc1cc(C)c(Br)c(C=O)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.46
PRKDC P78527 1/20 0.44
ALDH1A1 P00352 9/20 0.43
TRIM24 O15164 1/20 0.42
TYR P14679 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
KDM4E B2RXH2 2/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
MAPT P10636 1/20 0.37
CYP2A6 P11509 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34

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
SCHEMBL6828189 0.88 ERN1 (0.52) ERN1PRKDCALDH1A1TRIM24TYR
SCHEMBL120483 0.81 ALDH1A1 (0.56) ERN1PRKDCALDH1A1TRIM24TYR
SCHEMBL14877339 0.80 ERN1 (0.48) ERN1PRKDCALDH1A1TRIM24TYR
SCHEMBL11064540 0.80 ERN1 (0.48) ERN1PRKDCALDH1A1TRIM24TYR
SCHEMBL6829006 0.79 ERN1 (0.44) ERN1PRKDCALDH1A1TRIM24TYR
SCHEMBL31411394 0.79 ERN1 (0.44) ERN1PRKDCALDH1A1TRIM24TYR
SCHEMBL29048895 0.79 ERN1 (0.58) ERN1PRKDCALDH1A1TRIM24TYR
SCHEMBL701066 0.79 ALDH1A1 (0.53) ALDH1A1TSHRCYP1A2CYP2C19CYP2A6
SCHEMBL12924464 0.78 ERN1 (0.47) ERN1PRKDCALDH1A1TRIM24TYR
SCHEMBL10023122 0.78 ERN1 (0.47) ERN1ALDH1A1TRIM24TYRTRIM33

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331710-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD AND USE THEREOF SHANGHAI MEIYUE BIOTECH DEVELOPMENT CO. LTD (CN) 2023-10-19 US disclosed
US-20230331710-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD AND USE THEREOF SHANGHAI MEIYUE BIOTECH DEVELOPMENT CO. LTD (CN) 2023-10-19 US disclosed
EP-4194449-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Meiyue Biotech Development Co., Ltd. (CN) 2023-06-14 EP disclosed
US-20160274123-A1 One-Photon and/or Two-Photon Fluorescent Probe for Sensing Hydrogen Sulfide, Imaging Method of Hydrogen Sulfide Using Same, and Manufacturing Method Thereof POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2016-09-22 US disclosed
WO-2004073612-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO. INC. (US) 2004-09-02 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-20230331710-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD AND USE THEREOF C9, CFB, C5 ERN1 2131/4885PRKDC 3958/4885ALDH1A1 3003/4885

“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.