SCHEMBL6112969

SCHEMBL6112969

COc1ccc2c(c1[N+](=O)[O-])CCCCC2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
MAPT P10636 5/20 0.50
CYP1A2 P05177 3/20 0.50
CYP2C19 P33261 3/20 0.50
KDM4E B2RXH2 3/20 0.50
CYP3A4 P08684 2/20 0.50
HPGD P15428 2/20 0.50
CYP2C9 P11712 1/20 0.50
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
TDP1 Q9NUW8 3/20 0.42
POLB P06746 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD17B1 P14061 1/20 0.40
GAA P10253 2/20 0.39
GLA P06280 1/20 0.39
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
BRD4 O60885 1/20 0.36

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
SCHEMBL5188322 0.97 MAPT (0.53) ALDH1A1MAPTCYP1A2CYP2C19KDM4E
SCHEMBL8730062 0.80 TDP1 (0.45) ALDH1A1MAPTCYP1A2CYP2C19KDM4E
SCHEMBL7098722 0.80 ALDH1A1 (0.46) ALDH1A1MAPTCYP1A2CYP2C19CYP3A4
SCHEMBL1274675 0.78 ALDH1A1 (0.81) ALDH1A1MAPTKDM4EHPGDKMT2A
SCHEMBL22560178 0.78 ALDH1A1 (0.56) ALDH1A1MAPTKDM4EHPGDKMT2A
SCHEMBL6112770 0.78 ALDH1A1 (0.81) ALDH1A1MAPTKDM4EHPGDKMT2A
SCHEMBL23335828 0.76 ALDH1A1 (0.54) ALDH1A1MAPTKDM4EHPGDKMT2A
SCHEMBL6119284 0.76 ALDH1A1 (0.54) ALDH1A1MAPTKDM4EHPGDKMT2A
SCHEMBL21715395 0.76 ALDH1A1 (0.54) ALDH1A1MAPTKDM4EHPGDKMT2A
SCHEMBL6113134 0.76 ALDH1A1 (0.54) ALDH1A1MAPTKDM4EHPGDKMT2A

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-2012068284-A2 EFFICIENT METHOD FOR PREPARING FUNCTIONALIZED BENZOSUBERENES BAYLOR UNIVERSITY (US) 2012-05-24 WO disclosed
US-20120130129-A1 Efficient Method for Preparing Functionalized Benzosuberenes BAYLOR UNIVERSITY (US) 2012-05-24 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-20120130129-A1 Efficient Method for Preparing Functionalized Benzosuberenes CYP2B6, CYP2A6, GABRA6 ALDH1A1 1302/4885MAPT 3719/4885CYP1A2 236/4885

“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.