SCHEMBL8282249

SCHEMBL8282249

CNc1cc2c(cc1O)OCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 5/20 0.40
CYP2D6 P10635 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 1/20 0.37
HPGD P15428 2/20 0.36
HSD17B10 Q99714 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 2/20 0.35
NPC1 O15118 2/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL18388882 0.77 ALDH1A1 (0.39) CYP3A4KDM4ESMN1; SMN2NPSR1ALDH1A1
SCHEMBL2268770 0.77 CYP3A4 (0.56) CYP3A4SMN1; SMN2ALDH1A1CYP2D6CYP1A2
SCHEMBL13090795 0.75 MEN1 (0.43) CYP3A4KDM4ESMN1; SMN2NPSR1ALDH1A1
SCHEMBL19821774 0.75 ALDH1A1 (0.36) CYP3A4KDM4ESMN1; SMN2NPSR1ALDH1A1
SCHEMBL10068285 0.75 MAPT (0.40) CYP3A4KDM4ESMN1; SMN2NPSR1ALDH1A1
SCHEMBL23339899 0.75 CYP2D6 (0.39) CYP3A4KDM4ESMN1; SMN2NPSR1ALDH1A1
SCHEMBL9750702 0.74 IDO1 (0.42) KDM4ESMN1; SMN2NPSR1ALDH1A1CYP1A2
SCHEMBL7842347 0.73 CYP2D6 (0.39) CYP3A4KDM4ESMN1; SMN2NPSR1ALDH1A1
SCHEMBL13949626 0.73 KDM4E (0.63) KDM4ESMN1; SMN2NPSR1ALDH1A1ALOX15
SCHEMBL8948290 0.72 LMNA (0.51) KDM4ESMN1; SMN2ALDH1A1HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129818-A1 Compositions and Methods for Treatment of Cardiovascular Disease CARMEL BIOSCIENCES, INC. 2012-05-24 US disclosed
US-20120129818-A1 Compositions and Methods for Treatment of Cardiovascular Disease CARMEL BIOSCIENCES, INC. 2012-05-24 US disclosed
WO-2010124201-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF CARDIOVASCULAR DISEASE INVASC THERAPEUTICS, INC. (US) 2010-10-28 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-20120129818-A1 Compositions and Methods for Treatment of Cardiovascular Disease APOB, LDLR, APOL1 CYP3A4 1628/4885KDM4E 969/4885SMN1; SMN2 2146/4885

“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.