SCHEMBL2648893

SCHEMBL2648893

OC1CCC(NC2CCCCC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
HSD17B10 Q99714 1/20 0.67
TSHR P16473 1/20 0.47
EPHX2 P34913 2/20 0.44
EPHX1 P07099 6/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CYP3A4 P08684 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ADH1B P00325 2/20 0.40
ADH1C P00326 2/20 0.40
ADH1A P07327 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ADH4 P08319 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA1 P00915 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
SCHEMBL2648892 1.00 ALDH1A1 (0.67) ALDH1A1HSD17B10TSHREPHX2EPHX1
SCHEMBL19313250 0.95 ALDH1A1 (0.60) ALDH1A1HSD17B10TSHREPHX2EPHX1
SCHEMBL2137039 0.88 EPHX2 (0.52) ALDH1A1HSD17B10TSHREPHX2ADH1B
SCHEMBL2595288 0.88 EPHX2 (0.52) ALDH1A1HSD17B10TSHREPHX2ADH1B
SCHEMBL1679056 0.85 ALDH1A1 (0.92) ALDH1A1HSD17B10EPHX2EPHX1SMN1; SMN2
SCHEMBL1679059 0.85 ALDH1A1 (0.92) ALDH1A1HSD17B10EPHX2EPHX1SMN1; SMN2
SCHEMBL613478 0.85 ALDH1A1 (0.92) ALDH1A1HSD17B10EPHX2EPHX1SMN1; SMN2
SCHEMBL5909148 0.85 ALDH1A1 (0.92) ALDH1A1HSD17B10EPHX2EPHX1SMN1; SMN2
SCHEMBL5182902 0.83 TSHR (0.47) ALDH1A1HSD17B10TSHREPHX2EPHX1
Hydrochloric Acid SCHEMBL3247210 0.82 ALDH1A1 (0.86) ALDH1A1HSD17B10EPHX2EPHX1SMN1; SMN2

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-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
CN-101258137-A Dicycloalkyl urea glucokinase activators NOVO NORDISK AS (DK) 2008-09-03 CN 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 1699/4885TSHR 4450/4885

“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.