SCHEMBL6732079

SCHEMBL6732079

COc1ccc(C2CCCCC2C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.54
SLC6A4 P31645 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
KDM1A O60341 2/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
EDNRA P25101 2/20 0.45
EDNRB P24530 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 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
SCHEMBL23982275 1.00 SLC6A2 (0.54) SLC6A2SLC6A4SMN1; SMN2KMT2AMEN1
SCHEMBL6732081 1.00 SLC6A2 (0.54) SLC6A2SLC6A4SMN1; SMN2KMT2AMEN1
SCHEMBL30554045 0.83 KDM1A (0.51) SMN1; SMN2KMT2AL3MBTL1KDM1AMAOA
SCHEMBL318152 0.82 SLC9A1 (0.52) SLC6A2SLC6A4SMN1; SMN2KMT2AMEN1
SCHEMBL6216682 0.81 FFAR1 (0.55) SLC6A2SLC6A4SMN1; SMN2ALDH1A1RAB9A
SCHEMBL6778641 0.81 FFAR1 (0.55) SLC6A2SLC6A4SMN1; SMN2ALDH1A1RAB9A
SCHEMBL18596476 0.81 RAB9A (0.57) SMN1; SMN2KMT2ANPSR1L3MBTL1KDM1A
SCHEMBL432751 0.81 RAB9A (0.57) SMN1; SMN2KMT2ANPSR1L3MBTL1KDM1A
SCHEMBL7001425 0.81 RAB9A (0.57) SMN1; SMN2KMT2ANPSR1L3MBTL1KDM1A
SCHEMBL10289077 0.81 RAB9A (0.57) SMN1; SMN2KMT2ANPSR1L3MBTL1KDM1A

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 3069/4885SMN1; SMN2 1990/4885

“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.