SCHEMBL1300428

SCHEMBL1300428

CCOC(=O)C1(C(N)=O)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.35
OPRM1 P35372 5/20 0.34
KDM4E B2RXH2 3/20 0.34
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
SLC22A1 O15245 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
KCNH2 Q12809 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ATM Q13315 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
SCHEMBL4640203 0.94 ALOX15 (0.43) ALOX15SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL9065399 0.90 ALOX15 (0.46) ALOX15SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL9806689 0.88 SMN1; SMN2 (0.41) ALOX15SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL254353 0.88 SMN1; SMN2 (0.41) ALOX15SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1152835 0.86 SMN1; SMN2 (0.42) ALOX15SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL16847424 0.83 SMN1; SMN2 (0.36) ALOX15SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL2321698 0.82 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL9806691 0.82 SMN1; SMN2 (0.41) ALOX15SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL10850510 0.82 SMN1; SMN2 (0.41) ALOX15SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL670857 0.82 SMN1; SMN2 (0.41) ALOX15SMN1; SMN2ALDH1A1MEN1KMT2A

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-8765780-B2 Alicyclic carboxylic acid derivatives of benzomorphans and related scaffolds, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-01 US disclosed
US-20110269791-A1 Alicyclic carboxylic acid derivatives of benzomorphans and related scaffolds, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 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-20110269791-A1 Alicyclic carboxylic acid derivatives of benzomorphans and related scaffolds, medicaments containing such compounds and their use HSD11B1, CYP46A1, HSD11B2 ALOX15 159/4885SMN1; SMN2 3476/4885ALDH1A1 116/4885

“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.