SCHEMBL3069102

SCHEMBL3069102

O=C(Oc1ccc(Oc2ccccc2)cc1)C(C(=O)c1cccnc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
LMNA P02545 3/20 0.49
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
RECQL P46063 1/20 0.47
RAB9A P51151 1/20 0.47
HTT P42858 1/20 0.45
KMT2A Q03164 8/20 0.45
ATM Q13315 1/20 0.45
EPHX2 P34913 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
THRB P10828 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
APP P05067 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL3056684 0.89 KMT2A (0.46) ALDH1A1LMNAHTTKMT2AATM
SCHEMBL3062323 0.89 KMT2A (0.60) ALDH1A1LMNANPC1RAB9AKMT2A
SCHEMBL3069214 0.84 NPC1 (0.42) ALDH1A1LMNANPC1TP53RECQL
SCHEMBL3078379 0.83 ALDH1A1 (0.53) ALDH1A1LMNANPC1RAB9AKMT2A
SCHEMBL3080052 0.81 KMT2A (0.50) ALDH1A1LMNAHTTKMT2ACYP3A4
SCHEMBL3071332 0.80 ALDH1A1 (0.48) ALDH1A1LMNANPC1TP53RAB9A
SCHEMBL3068944 0.76 RAB9A (0.45) ALDH1A1LMNANPC1TP53RECQL
SCHEMBL5362137 0.76 ALDH1A1 (0.51) ALDH1A1LMNAHTTEPHX2CYP3A4
SCHEMBL6310768 0.75 NPY5R (0.49) ALDH1A1NPC1TP53RECQLRAB9A
SCHEMBL11603539 0.74 NPC1 (0.61) ALDH1A1LMNANPC1TP53RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267555-A1 Fungicidal mixtures II BASF SE (DE) 2010-10-21 US claimed
EP-2222169-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2010-09-01 EP claimed
WO-2009063075-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2009-05-22 WO claimed
US-20100267555-A1 Fungicidal mixtures II BASF SE (DE) 2010-10-21 US disclosed
EP-2222169-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2010-09-01 EP disclosed
WO-2009063075-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2009-05-22 WO disclosed
US-20050277663-A1 3-Aryl-3-hydroxy-and 3-aryl-3-oxopropionic acid esters as fungicides ATP CAPITAL LP 2005-12-15 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 (2 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-20050277663-A1 3-Aryl-3-hydroxy-and 3-aryl-3-oxopropionic acid esters as fungicides CYP21A2, HAO1, AHR ALDH1A1 99/4885LMNA 3281/4885NPC1 1995/4885
US-20100267555-A1 Fungicidal mixtures II CBR3, CBR1, NOX3 ALDH1A1 764/4885LMNA 516/4885NPC1 1444/4885

“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.