SCHEMBL13640738

SCHEMBL13640738

C=C(OCC)C1CCC(C(C)(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.39
ALDH1A1 P00352 5/20 0.35
MAPT P10636 3/20 0.35
RECQL P46063 1/20 0.35
ATM Q13315 1/20 0.35
HTT P42858 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX12 P18054 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL8608076 0.77 ALDH1A1 (0.51) HSD11B1ALDH1A1MAPTRECQLATM
SCHEMBL8779291 0.73 GLA (0.42) HSD11B1ALDH1A1MAPTRECQLATM
SCHEMBL12449968 0.73
SCHEMBL16155866 0.72 TSHR (0.37) ALDH1A1MAPTRECQLKMT2AGAA
SCHEMBL13959629 0.72 GABRP (0.37) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL12084802 0.70 MAPT (0.39) HSD11B1ALDH1A1MAPTATMHTT
SCHEMBL15925137 0.70 GLA (0.42) HSD11B1ALDH1A1MAPTRECQLATM
SCHEMBL19387468 0.70 GLA (0.38) HSD11B1ALDH1A1MAPTRECQLATM
SCHEMBL18212338 0.69 GAA (0.47) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL20821506 0.69 ALDH1A1 (0.40) HSD11B1ALDH1A1MAPTRECQLATM

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-8497295-B2 Spiroindoline modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-30 US disclosed
US-20120283243-A1 Spiroindoline Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 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-20120283243-A1 Spiroindoline Modulators of Muscarinic Receptors CHRM3, CHRM2, CHRM5 HSD11B1 862/4885ALDH1A1 1353/4885MAPT 3023/4885

“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.