SCHEMBL1911342

SCHEMBL1911342

CC#CCC1CCC(C(=O)OC)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
ALDH1A1 P00352 4/20 0.38
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
HPGD P15428 2/20 0.34
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
POLB P06746 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL3425669 0.81 TP53 (0.41) TP53ALDH1A1GAASMN1; SMN2HPGD
SCHEMBL243310 0.81 TP53 (0.41) TP53ALDH1A1GAASMN1; SMN2HPGD
SCHEMBL2639277 0.80 TP53 (0.40) TP53ALDH1A1GAASMN1; SMN2HPGD
SCHEMBL17118123 0.77 TP53 (0.46) TP53ALDH1A1GAASMN1; SMN2HPGD
SCHEMBL358775 0.77 GAA (0.47) TP53ALDH1A1GAASMN1; SMN2HPGD
SCHEMBL14305169 0.77 TP53 (0.46) TP53ALDH1A1GAASMN1; SMN2HPGD
SCHEMBL5543322 0.77 GAA (0.47) TP53ALDH1A1GAASMN1; SMN2HPGD
SCHEMBL15200264 0.77 GAA (0.47) TP53ALDH1A1GAASMN1; SMN2HPGD
SCHEMBL244740 0.76
SCHEMBL2948892 0.76 TP53 (0.56) TP53ALDH1A1GAASMN1; SMN2CHRNB2

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-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 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 (3 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-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 TP53 969/4885ALDH1A1 166/4885GAA 916/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 TP53 969/4885ALDH1A1 166/4885GAA 916/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 TP53 969/4885ALDH1A1 166/4885GAA 916/4885

“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.