SCHEMBL12647199

SCHEMBL12647199

Cc1cc2ccccc2c2c1C(C)(C)CN2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 6/20 0.38
▸ CYP2A6 P11509 3/20 0.38
▸ ALDH1A1 P00352 7/20 0.38
▸ HPGD P15428 3/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.34
▸ GAA P10253 2/20 0.34
▸ CCR1 P32246 1/20 0.33
▸ CCR8 P51685 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPKAPK2 P49137 1/20 0.33
▸ SLC6A2 P23975 2/20 0.32
▸ CHRNA1 P02708 1/20 0.32
▸ CHRNG P07510 1/20 0.32
▸ CHRNB1 P11230 1/20 0.32
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNB4 P30926 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32

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
SCHEMBL1408679 0.80 MAPT (0.39) CYP1A2ALDH1A1HPGDKDM4EMAPKAPK2
SCHEMBL1506854 0.68 POLB (0.42) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL12647196 0.64 PGR (0.43) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL11030483 0.62 TYMP (0.40) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL599191 0.62 CYP1A2 (0.62) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL459684 0.60 CYP1A2 (0.56) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL4747937 0.60 CYP1A2 (0.50) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL2968075 0.60 CYP1A2 (0.50) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL30800594 0.60 CYP1A2 (0.50) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL11066806 0.60 CYP2A6 (0.74) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10

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 2010/4885ALDH1A1 1629/4885

“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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