SCHEMBL10161437

SCHEMBL10161437

Cc1ccc2c(OCc3ccccc3)c(C(=O)Oc3ccccc3)c(C)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTPN1 P18031 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
MAOB P27338 3/20 0.39
P2RY14 Q15391 1/20 0.38
POLB P06746 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
NR4A2 P43354 1/20 0.38
KCNA2 P16389 1/20 0.38
KCNA5 P22460 1/20 0.38
KCNA1 Q09470 1/20 0.38

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
SCHEMBL10161447 0.89 TP53 (0.43) MAPTPTPN1LMNAHPGDMAOB
SCHEMBL10161338 0.80 HPGD (0.46) MAPTTDP1PTPN1LMNAHPGD
SCHEMBL10161340 0.79 THRA (0.42) MAPTTDP1PTPN1LMNAHPGD
SCHEMBL10161454 0.79 MAPT (0.39) MAPTTDP1MAOBPOLB
SCHEMBL10161339 0.78 MRGPRX4 (0.46) MAPTTDP1PTPN1LMNAHPGD
SCHEMBL10161449 0.77 MAPT (0.54) MAPTTDP1LMNAHPGD
SCHEMBL10196586 0.75 ATM (0.42) MAPTLMNA
SCHEMBL977063 0.74 MCL1 (0.47) MAPTLMNAHPGDMAOBNR4A2
SCHEMBL6125199 0.74 PTPN1 (0.47) PTPN1LMNAHPGDMAOBMRGPRX4
SCHEMBL10161372 0.74 BRD4 (0.40) MAPTTDP1LMNAHPGD

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-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 MAPT 734/4885TDP1 2230/4885PTPN1 1410/4885

“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.