SCHEMBL10160466

SCHEMBL10160466

Cc1cc2ccc(Br)cc2c(OC(=O)OC(C)(C)C)c1C(=O)Oc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
CYP1A2 P05177 3/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
ALOX12 P18054 1/20 0.36
ELANE P08246 1/20 0.35
RXFP1 Q9HBX9 2/20 0.34
PRNP P04156 1/20 0.34
PPARG P37231 1/20 0.34
NR2E3 Q9Y5X4 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
TP53 P04637 1/20 0.34
PTGFR P43088 7/20 0.33
RECQL P46063 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
SCHEMBL14220489 0.87 MAPT (0.34) MAPTCYP1A2ALDH1A1GAACYP2C9
SCHEMBL10160471 0.84 MAPT (0.42) MAPTCYP1A2ALDH1A1GAACYP2C9
SCHEMBL10161454 0.83 MAPT (0.39) MAPTCYP1A2ALDH1A1GAACYP2C9
SCHEMBL10161192 0.82 MAPT (0.36) MAPTCYP1A2ALDH1A1GAACYP2C9
SCHEMBL10160837 0.82 ELANE (0.36) MAPTCYP1A2GAACYP2C9CYP2C19
SCHEMBL10160980 0.81 MEN1 (0.39) MAPTCYP1A2ALDH1A1GAACYP2C9
SCHEMBL10161222 0.81 MEN1 (0.35) MAPTCYP1A2ALDH1A1GAACYP2C9
SCHEMBL10160888 0.81 MAPT (0.34) MAPTCYP1A2ALDH1A1GAACYP2C9
SCHEMBL10160934 0.78 SOS1 (0.33) MAPTCYP1A2ALDH1A1GAACYP2C9
SCHEMBL10161469 0.78 ELANE (0.33) MAPTCYP1A2CYP2C9CYP2C19MEN1

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 3 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
WO-2010132670-A2 PENTACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. (US) 2010-11-18 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-20120115819-A1 Pentacycline Compounds TSLP, IL5, IL17A MAPT 734/4885CYP1A2 1596/4885ALDH1A1 1598/4885

“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.