SCHEMBL6401040

SCHEMBL6401040

Cc1ccc(NCC(c2ccc(-c3ccc(O)cc3)s2)P(=O)(N(C)C)N(C)C)c(C)n1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.33
ESRRG P62508 3/20 0.32
HSD17B1 P14061 2/20 0.32
HSD17B2 P37059 2/20 0.32
ESR1 P03372 2/20 0.31
ESR2 Q92731 1/20 0.31
ACKR3 P25106 1/20 0.31

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
SCHEMBL6407329 0.85 ESRRG (0.32) APPESRRGHSD17B1HSD17B2ESR1
SCHEMBL6278264 0.85 WRN (0.32) APPESRRGHSD17B1HSD17B2ESR1
SCHEMBL6272796 0.82 WRN (0.31) ESRRG
SCHEMBL6272802 0.81 HSD17B1 (0.31) APPHSD17B1HSD17B2
SCHEMBL6403483 0.74 HSD17B2 (0.33) APPHSD17B1HSD17B2
SCHEMBL6253453 0.69 FDPS (0.36) ESR2
SCHEMBL6752815 0.64 ACP3 (0.43)
SCHEMBL13044656 0.60 IDO1 (0.42) ESR1ESR2
SCHEMBL6402237 0.60 LMNA (0.33)
SCHEMBL6314562 0.60 LMNA (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143349-A1 Phosphorus containing compounds useful for the regulation of LDL and Lp(a) levels QUATRX PHARMACEUTICALS CO. 2005-06-30 US claimed
US-20050143349-A1 Phosphorus containing compounds useful for the regulation of LDL and Lp(a) levels QUATRX PHARMACEUTICALS CO. 2005-06-30 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-20050143349-A1 Phosphorus containing compounds useful for the regulation of LDL and Lp(a) levels APOB, LDLR, LPL APP 374/4885ESRRG 349/4885HSD17B1 2446/4885

“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.