SCHEMBL20646429

SCHEMBL20646429

CC(C)(C)c1ccc(C2CCCCC2C=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.51
▸ RAB9A P51151 4/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ EPHX1 P07099 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ NPY1R P25929 1/20 0.36
▸ NPY2R P49146 1/20 0.36
▸ NPY4R P50391 1/20 0.36
▸ NPY5R Q15761 1/20 0.36
▸ PTGER2 P43116 1/20 0.36
▸ GRIN2C Q14957 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ HSD11B1 P28845 2/20 0.35
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL12212987 0.77 TRIM24 (0.36) ALDH1A1
SCHEMBL7975876 0.74 KDM1A (0.42) SLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL12208421 0.73 MEN1 (0.42) SLC6A2HPGDSLC6A3LMNAL3MBTL1
SCHEMBL4605961 0.70 SLC6A2 (0.51) SLC6A2RAB9AALDH1A1HPGDEPHX1
SCHEMBL4605964 0.70 SLC6A2 (0.51) SLC6A2RAB9AALDH1A1HPGDEPHX1
SCHEMBL1644777 0.70 SLC6A2 (0.48) SLC6A2RAB9ANPY1RNPY2RNPY4R
SCHEMBL4605965 0.70 SLC6A2 (0.51) SLC6A2RAB9AALDH1A1HPGDEPHX1
SCHEMBL5146562 0.70 SLC6A2 (0.46) SLC6A2RAB9AALDH1A1HPGDEPHX1
SCHEMBL21768000 0.70 PDE4B (0.47) NPC1
Acrolein SCHEMBL6271087 0.69 MEN1 (0.39) SLC6A2HPGDSLC6A4KDM1A

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-20190016742-A1 Complexes JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2019-01-17 — — 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-20190016742-A1 Complexes C5, C1S, C9 SLC6A2 3129/4885RAB9A 2806/4885NPC1 1044/4885

“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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