SCHEMBL10107912

SCHEMBL10107912

CCCCOc1cncc(Cc2ccc(OC(F)(F)F)cc2)c1C(=O)Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
LMNA P02545 4/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
TSHR P16473 1/20 0.40
SLC6A4 P31645 1/20 0.40
KMT2A Q03164 1/20 0.40
PPARD Q03181 5/20 0.39
PPARA Q07869 3/20 0.39
PPARG P37231 2/20 0.39
ALOX5 P09917 1/20 0.39
NFKB1 P19838 3/20 0.39
NFKB2 Q00653 3/20 0.39
RELA Q04206 3/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 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
SCHEMBL10102287 0.88 RXRA (0.43) CYP11B1CYP11B2TSHRSLC6A4PPARG
SCHEMBL10107557 0.79 LMNA (0.44) LMNACYP1A2CYP2C9CYP2C19TSHR
SCHEMBL6128440 0.78 LMNA (0.49) LMNACYP1A2CYP2C9CYP2C19TSHR
SCHEMBL5031267 0.77 LMNA (0.48) LMNACYP1A2CYP2C9CYP2C19TSHR
SCHEMBL10102283 0.73 AOC3 (0.45) LMNATSHRKMT2ANPC1SMN1; SMN2
SCHEMBL10107472 0.71 LMNA (0.44) LMNACYP1A2CYP2C9CYP2C19TSHR
SCHEMBL17695310 0.71 LMNA (0.46) LMNACYP1A2CYP2C9CYP2C19TSHR
SCHEMBL15521285 0.71 PTGDR2 (0.36) PPARDPPARAPPARGALOX5FFAR1
SCHEMBL10261822 0.70 THRA (0.38) LMNACYP1A2CYP2C19KMT2APPARD
SCHEMBL10107475 0.69 LMNA (0.44) LMNACYP1A2CYP2C9CYP2C19TSHR

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 4 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
WO-2010129055-A1 8-AZA TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. (US) 2010-11-11 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-20120108569-A1 8-AZA Tetracycline Compounds TET1, TET3, HDAC8 CYP11B1 1481/4885CYP11B2 1198/4885LMNA 3433/4885

“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.