SCHEMBL2649447

SCHEMBL2649447

FC(F)(F)COCC1CCC(NC2CCCCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
THRB P10828 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
EPHX1 P07099 1/20 0.30
TACR1 P25103 1/20 0.30
SLC6A4 P31645 1/20 0.30
CCR2 P41597 2/20 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
SCHEMBL2649445 1.00 ALDH1A1 (0.41) ALDH1A1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL2649715 0.83 ALDH1A1 (0.55) ALDH1A1HSD17B10LMNAGAAKMT2A
SCHEMBL2649705 0.83 ALDH1A1 (0.55) ALDH1A1HSD17B10LMNAGAAKMT2A
SCHEMBL2649713 0.83 ALDH1A1 (0.55) ALDH1A1HSD17B10LMNAGAAKMT2A
SCHEMBL2649701 0.83 ALDH1A1 (0.55) ALDH1A1HSD17B10LMNAGAAKMT2A
SCHEMBL2649791 0.77 ALDH1A1 (0.46) ALDH1A1HSD17B10CYP1A2LMNAMEN1
SCHEMBL2649794 0.77 ALDH1A1 (0.46) ALDH1A1HSD17B10CYP1A2LMNAMEN1
SCHEMBL2647634 0.75 ALDH1A1 (0.44) ALDH1A1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL2647631 0.75 ALDH1A1 (0.44) ALDH1A1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL2649155 0.74 ALDH1A1 (0.43) ALDH1A1HSD17B10CYP1A2KMT2ATHRB

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-7582769-B2 Dicycloalkyl urea glucokinase activators NOVO NORDISK A/S (DK) 2009-09-01 US disclosed
US-20090118501-A1 Dicycloalkyl Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2009-05-07 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-20090118501-A1 Dicycloalkyl Urea Glucokinase Activators GCK, GCKR, UCK2 ALDH1A1 3782/4885HSD17B10 1699/4885CYP1A2 3421/4885

“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.