SCHEMBL2810182

SCHEMBL2810182

O=C(Nc1cc(C(=O)Oc2ccccc2)cc(C(=O)Oc2ccccc2)c1)Oc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.63
ALDH1A1 P00352 8/20 0.57
MAPT P10636 5/20 0.57
NSD2 O96028 1/20 0.56
RAD51 Q06609 1/20 0.55
KDM4E B2RXH2 3/20 0.54
GAA P10253 3/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KMT2A Q03164 7/20 0.53
MEN1 O00255 4/20 0.53
THRB P10828 2/20 0.53
GFER P55789 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
RAB9A P51151 1/20 0.53
HPGD P15428 2/20 0.52
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
GLA P06280 1/20 0.50
ATM Q13315 1/20 0.50

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
SCHEMBL2813391 0.90 CYP1A2 (0.64) CYP1A2ALDH1A1MAPTRAD51KDM4E
SCHEMBL2808736 0.88 CYP1A2 (0.65) CYP1A2ALDH1A1MAPTRAD51KDM4E
SCHEMBL2811947 0.87 CYP1A2 (0.64) CYP1A2ALDH1A1MAPTRAD51KDM4E
SCHEMBL2814707 0.85 MAPT (0.62) CYP1A2ALDH1A1MAPTKDM4EGAA
SCHEMBL2813628 0.85 CYP1A2 (0.65) CYP1A2ALDH1A1MAPTRAD51KDM4E
SCHEMBL2035745 0.84 NSD2 (0.74) ALDH1A1MAPTNSD2KDM4ESMN1; SMN2
SCHEMBL4605841 0.81 CYP1A2 (0.61) CYP1A2ALDH1A1MAPTRAD51KDM4E
SCHEMBL2807577 0.81 FAAH (0.52) CYP1A2ALDH1A1MAPTRAD51KDM4E
Phenyl Phenylcarbamate SCHEMBL272994 0.80 ALDH1A1 (0.76) CYP1A2ALDH1A1MAPTRAD51KDM4E
SCHEMBL8063648 0.80 ALDH1A1 (0.82) CYP1A2ALDH1A1MAPTRAD51KDM4E

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-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed
EP-2202221-A1 ACETYLENE COMPOUND Fujifilm Corporation (JP) 2010-06-30 EP 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-20100240908-A1 ACETYLENE COMPOUND NAT1, KATNA1, KAT2B CYP1A2 535/4885ALDH1A1 401/4885MAPT 4057/4885

“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.