SCHEMBL8030764

SCHEMBL8030764

C[C@H](O)Cc1ccc(Br)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.45
KMT2A Q03164 2/20 0.43
EPHX1 P07099 2/20 0.43
SIGMAR1 Q99720 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MME P08473 2/20 0.41
TAAR1 Q96RJ0 2/20 0.40
PYCR1 P32322 1/20 0.40

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
SCHEMBL1427338 1.00 ACACB (0.45) ACACBKMT2AEPHX1SIGMAR1MEN1
SCHEMBL12002693 0.94 SIGMAR1 (0.42) ACACBKMT2AEPHX1SIGMAR1MEN1
SCHEMBL12002499 0.94 SIGMAR1 (0.42) ACACBKMT2AEPHX1SIGMAR1MEN1
SCHEMBL196800 0.87 TAAR1 (0.48) TAAR1
SCHEMBL22236094 0.83 MME (0.41) ACACBKMT2AEPHX1SIGMAR1MEN1
SCHEMBL19342845 0.82 ACACB (0.42) ACACBKMT2AEPHX1SIGMAR1MEN1
SCHEMBL8985983 0.80 TAAR1 (0.43) KMT2AMEN1RAB9ATAAR1
SCHEMBL9148931 0.80 PTGS1 (0.52) EPHX1
SCHEMBL1336531 0.80 ALDH1A1 (0.46) MMETAAR1
SCHEMBL2298190 0.80 HTR2A (0.42) ACACBMMETAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113825748-A Antimicrobial compounds and methods 库扎环球有限责任公司 2021-12-21 CN disclosed
EP-3911643-A1 ANTIMICROBIAL COMPOUNDS AND METHODS Curza Global LLC (US) 2021-11-24 EP disclosed
WO-2020150372-A1 ANTIMICROBIAL COMPOUNDS AND METHODS CURZA GLOBAL, LLC (US) 2020-07-23 WO disclosed
EP-3225616-A1 ALPHA-ASARY-LALDEHYDE ESTER, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Northwest University (CN) 2017-10-04 EP disclosed
US-20170260122-A1 a-ASARY-LALDEHYDE ESTER, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF NORTHWEST UNIVERSITY (CN) 2017-09-14 US disclosed
WO-2000006156-A1 AMIDE, CARBAMATE, AND UREA DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 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-20170260122-A1 a-ASARY-LALDEHYDE ESTER, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF LSS, CYP51A1, BACE1 ACACB 1071/4885KMT2A 2991/4885EPHX1 447/4885

“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.