SCHEMBL19737044

SCHEMBL19737044

CCCc1c(OC)cc(F)c(O)c1Br

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.45
ALOX5 P09917 12/20 0.42
STAT3 P40763 2/20 0.36
NFE2L2 Q16236 2/20 0.36
PTGES O14684 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 4/20 0.36
AKR1B1 P15121 1/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
PTPN1 P18031 1/20 0.35
ERN1 O75460 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
SCHEMBL19729139 0.80 PTPN1 (0.38) HMGCRALOX5NFKB1PTPN1
SCHEMBL19729137 0.78 LDHA (0.37) HMGCRALOX5PTGS1PTGS2PTPN1
SCHEMBL25186769 0.75 HMGCR (0.41) HMGCRALOX5ERN1
SCHEMBL31507904 0.72 ALOX5 (0.42) ALOX5STAT3NFE2L2PTGESPTGS1
SCHEMBL7114104 0.71 ALOX5 (0.53) HMGCRALOX5PTGS2PTPN1
SCHEMBL18753168 0.70 HMGCR (0.43) HMGCRALOX5
SCHEMBL29814905 0.68 ALOX5 (0.49) ALOX5PTGS2ERN1
SCHEMBL27002072 0.68 ALOX5 (0.49) ALOX5PTGS2ERN1
SCHEMBL6233280 0.68 ALOX5 (0.77) HMGCRALOX5PTGS2
SCHEMBL19737045 0.68 HMGCR (0.62) HMGCRALOX5

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-20170362508-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY DIC CORPORATION (JP) 2017-12-21 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-20170362508-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY PBDC1, RCC1, PUF60 HMGCR 2555/4885ALOX5 953/4885STAT3 4701/4885

“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.