SCHEMBL10160847

SCHEMBL10160847

COC(=O)c1c(C)cc2c(Br)cccc2c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
HPGD P15428 2/20 0.41
CYP3A4 P08684 2/20 0.41
KDM4E B2RXH2 3/20 0.40
POLB P06746 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ACHE P22303 1/20 0.40
EGFR P00533 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
AHR P35869 1/20 0.39
NR4A2 P43354 2/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39

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
SCHEMBL10160835 0.85 L3MBTL1 (0.41) HPGDCYP3A4KDM4EPOLBALDH1A1
SCHEMBL10160846 0.84 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL10196157 0.83 THRA (0.40) HPGDKDM4ENPSR1EGFRMEN1
SCHEMBL10161344 0.82 MAPT (0.51) HPGDALDH1A1MEN1KMT2APKM
SCHEMBL10160476 0.74 L3MBTL1 (0.46) CA12CA9HPGDCYP3A4KDM4E
SCHEMBL2662949 0.74 CYP3A4 (0.56) CA12CA1CA2CA7CA9
SCHEMBL24620609 0.73 KDM4E (0.39) CA2HPGDKDM4EPOLBALDH1A1
SCHEMBL30004188 0.73 MAPT (0.43) CA12CA1CA2CA7CA9
SCHEMBL434100 0.73 MAPT (0.43) CA12CA1CA2CA7CA9
SCHEMBL833170 0.73 CA12 (0.53) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115819-A1 Pentacycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-10 US disclosed
US-20120115819-A1 Pentacycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-10 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-20120115819-A1 Pentacycline Compounds TSLP, IL5, IL17A CA12 1367/4885CA1 1430/4885CA2 651/4885

“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.