SCHEMBL6731983

SCHEMBL6731983

CC(C)(C)OC(=O)[C@H]1CCCC[C@H]1c1ccc(C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.54
SLC6A4 P31645 1/20 0.51
PDE4B Q07343 4/20 0.40
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.37
SRD5A2 P31213 1/20 0.37
MEN1 O00255 1/20 0.36
PDE5A O76074 5/20 0.36
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC1 Q13547 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL20524969 0.84 MAPK1 (0.45) MAPTSRD5A2PDE5AKDM1AMAOB
SCHEMBL20524971 0.84 MAPK1 (0.45) MAPTSRD5A2PDE5AKDM1AMAOB
SCHEMBL5837836 0.81 SLC6A2 (0.52) SLC6A2SLC6A4PDE4BKCNQ3KCNQ2
SCHEMBL5837839 0.81 SLC6A2 (0.52) SLC6A2SLC6A4PDE4BKCNQ3KCNQ2
SCHEMBL5837841 0.81 SLC6A2 (0.52) SLC6A2SLC6A4PDE4BKCNQ3KCNQ2
SCHEMBL6735711 0.81 SLC6A2 (0.47) SLC6A2SLC6A4PDE4BKMT2AMAPT
SCHEMBL5838942 0.81 SLC6A2 (0.49) SLC6A2SLC6A4PDE4BKCNQ3KCNQ2
SCHEMBL28391452 0.81 SLC6A2 (0.51) SLC6A2SLC6A4PDE4BKCNQ3KCNQ2
SCHEMBL5838306 0.78 SLC6A2 (0.49) SLC6A2SLC6A4PDE4B
SCHEMBL28390568 0.78 MAPT (0.51) SLC6A2SLC6A4KMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040235830-A1 Substituted cyclohexane derivatives and the use thereof in medicaments for treating cardiovascular diseases BAYER AKTIENGESELLSCHAFT (DE) 2004-11-25 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-20040235830-A1 Substituted cyclohexane derivatives and the use thereof in medicaments for treating cardiovascular diseases CYP46A1, REN, CYP11B2 SLC6A2 1559/4885SLC6A4 3069/4885PDE4B 1618/4885

“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.