SCHEMBL6737874

SCHEMBL6737874

O=C(O)[C@H]1CCCC[C@H]1c1cccc(COc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.54
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
PTPRC P08575 1/20 0.46
PTPN1 P18031 1/20 0.46
ALOX5AP P20292 6/20 0.46
KCNH2 Q12809 1/20 0.46
FFAR1 O14842 2/20 0.44
NR4A2 P43354 1/20 0.44
SPHK2 Q9NRA0 1/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43

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 1.00 RAB9A (0.54) RAB9ACYP4F2CYP4A11MRGPRX4PTPRC
SCHEMBL6735389 0.86 RAB9A (0.57) RAB9ACYP4F2CYP4A11KCNH2FFAR1
SCHEMBL6736357 0.82 KCNQ3 (0.67) RAB9AFFAR1LMNA
SCHEMBL6736355 0.82 KCNQ3 (0.67) RAB9AFFAR1LMNA
SCHEMBL6737896 0.80 TAAR1 (0.42) RAB9AALOX5APKDM4ESMN1; SMN2
SCHEMBL6737892 0.80 TAAR1 (0.42) RAB9AALOX5APKDM4ESMN1; SMN2
SCHEMBL10288351 0.78 CYP4F2 (0.56) CYP4F2CYP4A11KCNH2FFAR1NR4A2
SCHEMBL2136322 0.78 CYP4F2 (0.56) CYP4F2CYP4A11KCNH2FFAR1NR4A2
SCHEMBL318152 0.78 SLC9A1 (0.52) RAB9AFFAR1KDM4EKMT2ASMN1; SMN2
SCHEMBL22492058 0.76 KCNQ3 (0.56) RAB9AFFAR1LMNAKMT2A

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 4669/4885CYP4F2 70/4885CYP4A11 31/4885

“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.