SCHEMBL12647194

SCHEMBL12647194

CC1=CC(C)(C)N(C)c2c1c(C)cc1ccccc21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.36
▸ CYP2A6 P11509 3/20 0.36
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TSHR P16473 2/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ NPEPPS P55786 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL12647196 0.68 PGR (0.43) CYP1A2CYP2A6MAPTKDM4EMEN1
SCHEMBL15694247 0.64 ATM (0.34) CYP1A2CYP2A6MAPTKDM4EMEN1
SCHEMBL15485758 0.62 NQO1 (0.50) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL31001028 0.61 CYP1A2 (0.52) CYP1A2CYP2A6MAPTKDM4EMAPK1
SCHEMBL28895790 0.60 CYP1A2 (0.47) CYP1A2CYP2A6MAPTKDM4EMEN1
SCHEMBL30661016 0.60 CYP1A2 (0.47) CYP1A2CYP2A6MAPTKDM4EMEN1
SCHEMBL11575589 0.60 CYP1A2 (0.47) CYP1A2CYP2A6MAPTKDM4EMEN1
SCHEMBL1889878 0.60 PARP1 (0.55) CYP1A2CYP2A6MAPTKDM4EMEN1
SCHEMBL599191 0.60 CYP1A2 (0.62) CYP1A2CYP2A6KDM4EALDH1A1HPGD
SCHEMBL19285741 0.59 CYP1A2 (0.47) CYP1A2CYP2A6MAPTKDM4EMEN1

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-20110124510-A1 METHODS OF LABELING POLYNUCLEOTIDE WITH DIBENZORHODAMINE DYES Life Technologies Corporation (US) 2011-05-26 — — US disclosed
US-7833756-B2 Methods of labelling polynucleotides with dibenzorhodamine dyes APPLIED BIOSYSTEMS, LLC (US) 2010-11-16 — — US disclosed
US-20090068751-A1 Methods of Labelling Polynucleotides with Dibenzorhodamine Dyes APPLIED BIOSYSTEMS INC. (US) 2009-03-12 — — 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-20090068751-A1 Methods of Labelling Polynucleotides with Dibenzorhodamine Dyes NUDT1, DUT, NSUN3 CYP1A2 3449/4885CYP2A6 2010/4885MAPT 4564/4885

“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.

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