SCHEMBL13065978

SCHEMBL13065978

CN(C)c1ccc2c(-c3ccc(C(=O)NCC(=O)NCc4c5oc6cc(O)ccc6c(-c6ccc(C(=O)O)cc6C(=O)O)c-5ccc4=O)cc3C(=O)O)c3ccc(=N)cc-3oc2c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 1/20 0.44
ESR1 P03372 1/20 0.41
FOLH1 Q04609 2/20 0.40
HTR3A P46098 1/20 0.40
CA9 Q16790 1/20 0.40
HAVCR2 Q8TDQ0 1/20 0.40
USP2 O75604 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALB P02768 1/20 0.39
SLC5A2 P31639 2/20 0.38
GBA1 P04062 2/20 0.38
ITPR1 Q14643 1/20 0.37

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
SCHEMBL10293948 0.95 P2RY6 (0.46) P2RY6ESR1FOLH1HTR3ACA9
SCHEMBL10293918 0.93 P2RY6 (0.44) P2RY6ESR1FOLH1HTR3ACA9
SCHEMBL13066052 0.92 SLC5A2 (0.45) P2RY6ESR1FOLH1HTR3ACA9
SCHEMBL13024618 0.92 P2RY6 (0.54) P2RY6ESR1FOLH1HTR3ACA9
SCHEMBL14415045 0.91 P2RY6 (0.43) P2RY6ESR1FOLH1HTR3ACA9
SCHEMBL13066344 0.91 P2RY6 (0.38) P2RY6ESR1FOLH1HTR3ACA9
SCHEMBL14419904 0.90 USP2 (0.49) ESR1FOLH1CA9HAVCR2USP2
SCHEMBL13065979 0.90 P2RY6 (0.42) P2RY6ESR1FOLH1HTR3ACA9
SCHEMBL14051238 0.90 P2RY6 (0.45) P2RY6ESR1FOLH1HTR3ACA9
SCHEMBL14597231 0.90 P2RY6 (0.42) P2RY6ESR1FOLH1HTR3ACA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280246-A1 ENERGY TRANSFER DYES WITH ENHANCED FLUORESCENCE APPLERA CORPORATION (US) 2010-11-04 US disclosed
US-7595162-B2 Methods of labeling polynucleotides with energy transfer dyes APPLIED BIOSYSTEMS, LLC (US) 2009-09-29 US disclosed
US-20080268509-A1 METHODS OF LABELING POLYNUCLEOTIDES WITH ENERGY TRANSFER DYES APPLERA CORPORATION (US) 2008-10-30 US disclosed
US-7432058-B2 Methods of labeling nucleic acids with energy transfer dyes APPLERA CORPORATION (US) 2008-10-07 US disclosed
US-20070154927-A1 ENERGY TRANSFER DYES WITH ENHANCED FLUORESCENCE APPLERA CORPORATION (US) 2007-07-05 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 (2 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-20100280246-A1 ENERGY TRANSFER DYES WITH ENHANCED FLUORESCENCE SLC25A21, ZCCHC8, ZDHHC7 P2RY6 4446/4885ESR1 2242/4885FOLH1 3268/4885
US-20070154927-A1 ENERGY TRANSFER DYES WITH ENHANCED FLUORESCENCE SLC25A21, ZCCHC8, SLC25A1 P2RY6 4355/4885ESR1 2046/4885FOLH1 3168/4885

“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.