SCHEMBL3485434

SCHEMBL3485434

CC1=CC(C)(C)N(C)c2cc(O)c(C(=O)c3ccc(Br)cc3C(=O)O)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40
MYC P01106 1/20 0.39
NR4A1 P22736 1/20 0.39
ALDH1A1 P00352 1/20 0.37
GSTA1 P08263 1/20 0.36
SORT1 Q99523 10/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
PGR P06401 2/20 0.34
AR P10275 2/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
CRHBP P24387 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL25280689 0.79 AR (0.37) CYP1A2CYP2C9CYP2C19HPGDCASP1
SCHEMBL31476409 0.71 PGR (0.41) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL21750720 0.71 PAX8 (0.44) CYP1A2CYP2C9CYP2C19HPGDCASP1
SCHEMBL3379896 0.66 KMT2A (0.54) CYP1A2CYP2C9CYP2C19HPGDCASP1
SCHEMBL17262945 0.64 NPSR1 (0.41) CYP1A2CYP2C9CYP2C19HPGDCASP1
SCHEMBL15031983 0.64 CYP3A4 (0.53) CYP2C9MYCNR4A1ALDH1A1GSTA1
SCHEMBL21812547 0.63 GSTA1 (0.77) CYP1A2CYP2C9CYP2C19HPGDALOX15
SCHEMBL3485083 0.63 ALDH1A1 (0.41) CYP1A2CYP2C9CYP2C19CASP1ALDH1A1
SCHEMBL467470 0.63 ALDH1A1 (0.61) CYP1A2CYP2C9CYP2C19HPGDALOX15
SCHEMBL618056 0.63 KDM4E (0.65) CYP1A2CYP2C9CYP2C19HPGDALOX15

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-8163910-B2 Amide-substituted xanthene dyes ELITECH HOLDING B.V. (NL) 2012-04-24 US disclosed
US-20090093612-A1 AMIDE-SUBSTITUTED XANTHENE DYES EPOCH BIOSCIENCES, INC. (US) 2009-04-09 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-20090093612-A1 AMIDE-SUBSTITUTED XANTHENE DYES ANXA5, PHOSPHO1, TPST2 CYP1A2 3725/4885CYP2C9 4083/4885CYP2C19 4420/4885

“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.