SCHEMBL477331

SCHEMBL477331

OCc1ccccc1-c1ccoc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.46
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
GPR84 Q9NQS5 1/20 0.40
DPP4 P27487 1/20 0.39
PDK2 Q15119 1/20 0.39
KMT2A Q03164 3/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
NAT1 P18440 2/20 0.37
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2D6 P10635 3/20 0.36
CYP2C19 P33261 3/20 0.36
HSD17B10 Q99714 3/20 0.36
CYP2C9 P11712 2/20 0.36
MEN1 O00255 2/20 0.36
USP2 O75604 2/20 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
SCHEMBL6599383 0.84 IMPDH2 (0.37) IMPDH2PDCD1CD274GPR84PDK2
SCHEMBL21480392 0.81 IMPDH2 (0.42) IMPDH2GPR84DPP4KMT2AADRA1D
SCHEMBL21480327 0.81 IMPDH2 (0.44) IMPDH2GPR84DPP4KMT2AADRA1D
SCHEMBL8279411 0.81 DPP4 (0.59) IMPDH2GPR84DPP4KMT2AADRA1D
SCHEMBL23647859 0.81 IMPDH2 (0.42) IMPDH2GPR84DPP4KMT2AADRA1D
SCHEMBL6598923 0.78 ESR1 (0.41) IMPDH2PDCD1CD274GPR84NAT1
SCHEMBL5781695 0.77 IMPDH2 (0.48) IMPDH2GPR84KMT2ANAT1ALDH1A1
SCHEMBL117091 0.77 PDCD1 (0.65) PDCD1CD274DPP4PDK2KMT2A
SCHEMBL30826353 0.77 PDCD1 (0.65) PDCD1CD274DPP4PDK2KMT2A
SCHEMBL5500418 0.77 IMPDH2 (0.39) IMPDH2GPR84DPP4KMT2AADRA1D

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
CN-115066428-A Boronic acid derivatives 首药控股(北京)股份有限公司 2022-09-16 CN disclosed
WO-2021143924-A1 BORIC ACID DERIVATIVE 首药控股(北京)股份有限公司 2021-07-22 WO disclosed
US-8563786-B2 Method for producing optically active alcohol MITSUI CHEMICALS, INC. (JP) 2013-10-22 US disclosed
US-20120088938-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-04-12 US disclosed
EP-2412694-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL Mitsui Chemicals, Inc. (JP) 2012-02-01 EP 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-20120088938-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1A, ADH1C, FHIT IMPDH2 1715/4885PDCD1 4265/4885CD274 3934/4885

“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.