SCHEMBL2540142

SCHEMBL2540142

CCN(C(=O)OC)c1[c]cccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TSHR P16473 3/20 0.40
GLA P06280 1/20 0.40
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
HTT P42858 1/20 0.36
HSD17B10 Q99714 2/20 0.34
LMNA P02545 4/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 2/20 0.33
ALOX15 P16050 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CYP3A4 P08684 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
SCHEMBL2536208 0.81 ALDH1A1 (0.43) ALDH1A1TSHRGLAKMT2AMEN1
SCHEMBL27627013 0.81 TSHR (0.45) ALDH1A1TSHRKMT2AMEN1HSD17B10
SCHEMBL1416198 0.80 ALDH1A1 (0.42) ALDH1A1TSHRGLAKMT2AMEN1
SCHEMBL2538996 0.80 ALDH1A1 (0.44) ALDH1A1TSHRGLAKMT2AMEN1
SCHEMBL7801492 0.79 ALDH1A1 (0.44) ALDH1A1TSHRGLAKMT2AMEN1
SCHEMBL2535686 0.78 TSHR (0.42) ALDH1A1TSHRGLAKMT2AMEN1
SCHEMBL7653262 0.74 ALDH1A1 (0.66) ALDH1A1TSHRGLAKMT2AMEN1
SCHEMBL9853535 0.73 KMT2A (0.35) ALDH1A1TSHRGLAKMT2AMEN1
Hydrochloric Acid SCHEMBL27718102 0.73 ALDH1A1 (0.63) ALDH1A1TSHRGLAKMT2AMEN1
SCHEMBL2534649 0.71 HTT (0.48) ALDH1A1TSHRGLAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1642898-B1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD KK (JP) 2013-03-27 EP disclosed
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP 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-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 ALDH1A1 3756/4885TSHR 226/4885GLA 3356/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 ALDH1A1 2837/4885TSHR 223/4885GLA 2541/4885

“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.