SCHEMBL20201336

SCHEMBL20201336

CCOP(C)(=O)Oc1ccc(CBr)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
POLB P06746 2/20 0.37
CYP3A4 P08684 2/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CA12 O43570 1/20 0.35
CA4 P22748 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
BLM P54132 1/20 0.34
CYP4F2 P78329 1/20 0.33

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
SCHEMBL28509159 0.87 CYP2C19 (0.47) CYP2C19SMN1; SMN2CA1CA2BCHE
SCHEMBL20201349 0.86 SMN1; SMN2 (0.61) CYP2C19SMN1; SMN2CA1CA2BCHE
SCHEMBL906817 0.84 CA2 (0.57) CYP2C19SMN1; SMN2CA1CA2BCHE
SCHEMBL19420438 0.83 CYP2C19 (0.49) CYP2C19SMN1; SMN2CA1CA2BCHE
SCHEMBL25518998 0.80 CYP2C19 (0.47) CYP2C19SMN1; SMN2CA1CA2BCHE
SCHEMBL10885712 0.78 L3MBTL1 (0.52) CA1CA2ACHEPOLBCA12
SCHEMBL28509160 0.77 CYP2C19 (0.68) CYP2C19SMN1; SMN2CA1CA2POLB
SCHEMBL19420441 0.75 ALDH1A1 (0.46) CYP2C19SMN1; SMN2CA1CA2BCHE
SCHEMBL10310970 0.75 HDAC1 (0.38) CYP2C19SMN1; SMN2ACHEPOLBTSHR
SCHEMBL25521153 0.74 CA2 (0.50) CYP2C19SMN1; SMN2CA1CA2BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180149596-A1 NEAR-INFRARED FLUORESCENT PROBE FOR DETECTING ALKALINE PHOSPHATASE AND MANUFACTURING METHOD THEREOF KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2018-05-31 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-20180149596-A1 NEAR-INFRARED FLUORESCENT PROBE FOR DETECTING ALKALINE PHOSPHATASE AND MANUFACTURING METHOD THEREOF ALPL, ALPI, ALPP CYP2C19 3206/4885SMN1; SMN2 4224/4885CA1 122/4885

“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.