SCHEMBL5329152

SCHEMBL5329152

O=C(Cn1ccnc1-c1ccccc1)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.55
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
PLAA Q9Y263 1/20 0.52
ALPG P10696 1/20 0.51
ALDH1A1 P00352 5/20 0.46
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 5/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA3 P07451 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45

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
SCHEMBL20083706 0.87 ESR1 (0.67) ESR1CYP1A2CYP2C9CYP2C19PLAA
SCHEMBL22234295 0.86 ESR1 (0.57) ESR1CYP1A2CYP2C9CYP2C19PLAA
SCHEMBL25402021 0.84 ESR1 (0.61) ESR1CYP1A2CYP2C19PLAAALPG
SCHEMBL18839799 0.82 ALDH1A1 (0.47) CYP1A2CYP2C9CYP2C19ALDH1A1MAPK1
SCHEMBL18839661 0.80 L3MBTL1 (0.45) CYP1A2CYP2C9CYP2C19ALDH1A1MAPK1
SCHEMBL5327638 0.79 ESR1 (0.71) ESR1PLAAALPGALDH1A1CA12
SCHEMBL9880609 0.78 ESR1 (0.47) ESR1CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL20068591 0.77 FPR2 (0.47) ALDH1A1MAPK1L3MBTL1TSHRRAB9A
SCHEMBL25402908 0.77 ESR1 (0.50) ESR1PLAAALPGALDH1A1L3MBTL1
SCHEMBL12984606 0.77 ESR1 (0.63) ESR1PLAAALPGALDH1A1CA12

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
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 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-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 ESR1 4728/4885CYP1A2 4174/4885CYP2C9 4299/4885

“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.