SCHEMBL5767809

SCHEMBL5767809

COc1c(-c2c(C(=O)O)cccc2[N+](=O)[O-])ccc2c1CCCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
HSP90AA1 P07900 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CXCR5 P32302 1/20 0.37
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
AKR1B10 O60218 1/20 0.37
AKR1B1 P15121 1/20 0.37

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
SCHEMBL5768689 0.77 TSHR (0.49) TSHRALDH1A1MEN1KMT2APOLB
SCHEMBL13133450 0.73 TSHR (0.56) TSHRALDH1A1MEN1KMT2AMAPT
SCHEMBL521662 0.73 TSHR (0.68) TSHRALDH1A1MEN1KMT2AMAPT
SCHEMBL29471725 0.72 TSHR (0.68) TSHRALDH1A1MEN1KMT2APOLB
SCHEMBL8610738 0.72 TSHR (0.68) TSHRALDH1A1MEN1KMT2APOLB
SCHEMBL833488 0.69 TDP1 (0.45) NPC1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL6312362 0.69 ALDH1A1 (0.49) NPC1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL13743283 0.68 HSP90AA1 (0.53) TSHRALDH1A1HSP90AA1MEN1KMT2A
SCHEMBL15326673 0.67 ALDH1A1 (0.52) NPC1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL6688479 0.67 MAPT (0.51) TSHRALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1349836-B1 TETRACYCLIC DERIVATIVES AS SPLA2 INHIBITORS LILLY CO ELI (US) 2006-06-14 EP disclosed
US-6992100-B2 sPLA2 inhibitors ELI LILLY AND COMPANY (US) 2006-01-31 US disclosed
US-20040092543-A1 Novel spla2 inhibitors BEIGHT DOUGLAS WADE (US) 2004-05-13 US disclosed
EP-1349836-A2 TETRACYCLIC DERIVATIVES AS SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 2003-10-08 EP disclosed
WO-2002050029-A2 TETRACYCLIC DERIVATIVES AS SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 2002-06-27 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-20040092543-A1 Novel spla2 inhibitors PLA2G12A, PLAAT2, SPINT2 TSHR 4606/4885NPC1 3104/4885ALDH1A1 3868/4885

“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.