SCHEMBL10101801

SCHEMBL10101801

COc1ncc(OCc2ccccc2)c(C(=O)O)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.48
RXRA P19793 2/20 0.48
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 1/20 0.46
PTGER1 P34995 1/20 0.46
EDNRA P25101 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
ALKBH1 Q13686 1/20 0.44
FOLH1 Q04609 1/20 0.44
ATM Q13315 1/20 0.44
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
SRD5A1 P18405 1/20 0.43

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
SCHEMBL290655 0.86 MAPT (0.41) MRGPRX4RXRAMAPTTDP1L3MBTL1
SCHEMBL15814554 0.86 L3MBTL1 (0.48) RXRAMAPTTDP1L3MBTL1MAPK1
SCHEMBL10107523 0.78 PPARA (0.38) SMN1; SMN2NPC1RAB9A
SCHEMBL15813873 0.78 MAPT (0.45) MAPTTDP1L3MBTL1MAPK1PTGER1
SCHEMBL22502280 0.77 RXRA (0.56) MRGPRX4RXRAPTGER1SMN1; SMN2RXRB
SCHEMBL31644031 0.76 MAPT (0.53) MRGPRX4RXRAMAPTTDP1L3MBTL1
SCHEMBL24257791 0.75 PTPN1 (0.49) MRGPRX4RXRAMAPTTDP1L3MBTL1
SCHEMBL27550697 0.74 PTGER1 (0.60) RXRAMAPTTDP1L3MBTL1MAPK1
SCHEMBL31643604 0.74 RXRA (0.49) MRGPRX4RXRAMAPTTDP1L3MBTL1
SCHEMBL10101802 0.74 MAPT (0.45) MAPTTDP1L3MBTL1MAPK1PTGER1

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-8828988-B2 8-AZA tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2014-09-09 US disclosed
US-8367654-B2 8-AZA tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-20120108569-A1 8-AZA Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-03 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-20120108569-A1 8-AZA Tetracycline Compounds TET1, TET3, HDAC8 MRGPRX4 4578/4885RXRA 1581/4885MAPT 921/4885

“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.