SCHEMBL14596992

SCHEMBL14596992

OCON=C(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP3A4 P08684 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 3/20 0.45
MAPK1 P28482 2/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TBXA2R P21731 9/20 0.44
TBXAS1 P24557 5/20 0.44
KDM4E B2RXH2 2/20 0.40
BLM P54132 2/20 0.40
PMP22 Q01453 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL4259732 0.80 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL13351521 0.80 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3883360 0.79 TBXA2R (0.54) TBXA2RTBXAS1
SCHEMBL10452205 0.78 SMN1; SMN2 (0.49) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL27649130 0.77 SMN1; SMN2 (0.47) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9514911 0.77 TBXA2R (0.48) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL22946578 0.77 PPARG (0.59) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL8613026 0.77 TBXA2R (0.51) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL27835726 0.75 PPARG (0.48) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1115510 0.72 HTR1D (0.47) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070021435-A1 AMINOPYRIMIDINES AS KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-25 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-20070021435-A1 AMINOPYRIMIDINES AS KINASE MODULATORS FLT3, KIT, TK1 ALDH1A1 1502/4885CYP1A2 3468/4885CYP2D6 2221/4885

“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.