SCHEMBL6735389

SCHEMBL6735389

O=C(O)[C@H]1CCCC[C@@H]1c1ccc(COc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.57
FFAR1 O14842 3/20 0.48
HRH3 Q9Y5N1 3/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
KDM1A O60341 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
S1PR5 Q9H228 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 2/20 0.45
KCNH2 Q12809 1/20 0.45
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
FFAR4 Q5NUL3 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL6737872 0.86 RAB9A (0.54) RAB9AFFAR1KMT2AKCNH2KDM4E
SCHEMBL6737874 0.86 RAB9A (0.54) RAB9AFFAR1KMT2AKCNH2KDM4E
SCHEMBL6732699 0.81 KCNQ3 (0.71) RAB9A
SCHEMBL5718108 0.80 ALDH1A1 (0.49) RAB9ASLC6A2SLC6A4KDM1AMAOA
SCHEMBL6739866 0.79 KMT2A (0.55) RAB9ASLC6A2SLC6A4KDM1AMAOA
SCHEMBL31728652 0.79 CYP4F2 (0.58) RAB9AFFAR1SLC6A2KDM1AMAOA
SCHEMBL527236 0.79 CYP4F2 (0.58) RAB9AFFAR1SLC6A2KDM1AMAOA
SCHEMBL527235 0.79 CYP4F2 (0.58) RAB9AFFAR1SLC6A2KDM1AMAOA
SCHEMBL18923955 0.79 CYP4F2 (0.58) RAB9AFFAR1SLC6A2KDM1AMAOA
SCHEMBL12354198 0.79 KCNQ3 (0.56) RAB9AFFAR1HRH3SLC6A2SLC6A4

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 RAB9A 4669/4885FFAR1 862/4885HRH3 1366/4885

“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.