SCHEMBL12647196

SCHEMBL12647196

CC1=CC(C)(C)Nc2c1c(C)cc1ccccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 12/20 0.43
▸ ALDH1A1 P00352 5/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.39
▸ HPGD P15428 3/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ POLB P06746 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
SCHEMBL13352353 0.82 PGR (0.42) PGRALDH1A1HSD17B10CYP3A4TDP1
SCHEMBL14144031 0.74 ALDH1A1 (0.50) PGRALDH1A1HSD17B10CYP3A4TDP1
SCHEMBL12647194 0.68 CYP1A2 (0.36) ALDH1A1HSD17B10TDP1KDM4EHPGD
SCHEMBL1889878 0.65 PARP1 (0.55) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL13067358 0.64 ALDH1A1 (0.41) ALDH1A1HSD17B10TDP1KDM4EHPGD
SCHEMBL12647199 0.64 CYP1A2 (0.38) ALDH1A1HSD17B10TDP1KDM4EHPGD
SCHEMBL5498846 0.64 PGR (0.43) PGRALDH1A1HSD17B10CYP3A4TDP1
SCHEMBL15485758 0.63 NQO1 (0.50) ALDH1A1HSD17B10HPGDCYP1A2CYP2A6
SCHEMBL8024917 0.62 ALDH1A1 (0.56) PGRALDH1A1HSD17B10CYP3A4TDP1
SCHEMBL31001028 0.62 CYP1A2 (0.52) ALDH1A1HSD17B10CYP3A4TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1034221-B1 DIBENZORHODAMINE DYES USEFUL AS FLUORESCENT LABELLING AGENTS LIFE TECHNOLOGIES CORP (US) 2014-05-14 — — EP disclosed
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 PGR 3012/4885ALDH1A1 1629/4885HSD17B10 2242/4885

“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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