SCHEMBL12102748

SCHEMBL12102748

CC(C)(C)N1CCC[C@H](C(=O)O)C1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.38
AKR1C3 P42330 2/20 0.38
SLC6A1 P30531 2/20 0.38
SLC6A11 P48066 2/20 0.38

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
SCHEMBL21042943 1.00 ALDH1A1 (0.49) ALDH1A1KMT2AHSD17B10SMN1; SMN2KDM4E
SCHEMBL2606791 1.00 ALDH1A1 (0.49) ALDH1A1KMT2AHSD17B10SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL21612902 0.98 ALDH1A1 (0.51) ALDH1A1KMT2AHSD17B10SMN1; SMN2KDM4E
SCHEMBL11977462 0.88 LMNA (0.46) ALDH1A1POLBLMNA
SCHEMBL15188004 0.88 LMNA (0.46) ALDH1A1POLBLMNA
SCHEMBL12102740 0.88 LMNA (0.46) ALDH1A1POLBLMNA
SCHEMBL11923163 0.85 ALDH1A1 (0.36) ALDH1A1KMT2AHSD17B10SMN1; SMN2MEN1
SCHEMBL4971987 0.85 ALDH1A1 (0.36) ALDH1A1KMT2AHSD17B10SMN1; SMN2MEN1
SCHEMBL8258796 0.83 ALDH1A1 (0.46) ALDH1A1KMT2AHSD17B10SMN1; SMN2KDM4E
SCHEMBL18501697 0.83 ATM (0.34) ALDH1A1KMT2AHSD17B10SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389508-B2 Heterocyclic compounds GLAXO GROUP LIMITED (GB) 2013-03-05 US disclosed
US-8389508-B2 Heterocyclic compounds GLAXO GROUP LIMITED (GB) 2013-03-05 US disclosed
US-20110269738-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-11-03 US disclosed
US-20110269738-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 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-20110269738-A1 COMPOUNDS CYP11B2, CYP11B1, GPR119 ALDH1A1 842/4885KMT2A 4470/4885HSD17B10 387/4885

“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.