SCHEMBL6741298

SCHEMBL6741298

O=Cc1ccc([C@@H]2CCCC[C@@H]2C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ KCNQ3 O43525 2/20 0.40
▸ KCNQ2 O43526 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ FFAR1 O14842 2/20 0.37
▸ HTT P42858 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ALDH5A1 P51649 1/20 0.35
▸ ABAT P80404 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ FABP7 O15540 1/20 0.35
▸ FABP3 P05413 1/20 0.35
▸ FABP5 Q01469 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
SCHEMBL6737724 1.00 SLC6A2 (0.44) SLC6A2SLC6A4KCNQ3KCNQ2ALDH1A1
SCHEMBL901089 0.81 SLC6A2 (0.48) SLC6A2SLC6A4KCNQ3KCNQ2ALDH1A1
SCHEMBL7352068 0.80 KCNQ3 (0.53) SLC6A2SLC6A4KCNQ3KCNQ2ALDH1A1
SCHEMBL839092 0.80 KCNQ3 (0.53) SLC6A2SLC6A4KCNQ3KCNQ2ALDH1A1
SCHEMBL4522521 0.80 KCNQ3 (0.53) SLC6A2SLC6A4KCNQ3KCNQ2ALDH1A1
SCHEMBL7352063 0.80 KCNQ3 (0.53) SLC6A2SLC6A4KCNQ3KCNQ2ALDH1A1
SCHEMBL12592455 0.80 KCNQ3 (0.53) SLC6A2SLC6A4KCNQ3KCNQ2ALDH1A1
SCHEMBL838634 0.80 KCNQ3 (0.56) SLC6A2SLC6A4KCNQ3KCNQ2ALDH1A1
SCHEMBL22492058 0.80 KCNQ3 (0.56) SLC6A2SLC6A4KCNQ3KCNQ2ALDH1A1
SCHEMBL22492062 0.80 KCNQ3 (0.56) SLC6A2SLC6A4KCNQ3KCNQ2ALDH1A1

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 3069/4885KCNQ3 3634/4885

“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.

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