SCHEMBL3805715

SCHEMBL3805715

CCN(CC)CCNC(=O)c1ccccc1Nc1cccc(C)c1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MT-CO2 P00403 2/20 0.59
▸ KDM4E B2RXH2 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ HPGD P15428 1/20 0.57
▸ PTGS1 P23219 3/20 0.57
▸ PTGS2 P35354 3/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ AKR1B10 O60218 1/20 0.56
▸ TRPA1 O75762 1/20 0.56
▸ ABCB11 O95342 1/20 0.56
▸ DHFR P00374 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ MPO P05164 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CHRM1 P11229 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ AKR1B1 P15121 1/20 0.56
▸ AKR1C3 P42330 1/20 0.56
▸ AKR1C2 P52895 1/20 0.56

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
Acetic Acid SCHEMBL28346642 0.96 MT-CO2 (0.56) MT-CO2KDM4EALDH1A1HPGDPTGS1
SCHEMBL12447795 0.83 HPGD (0.71) KDM4EALDH1A1HPGDMEN1LMNA
Hydrochloric Acid SCHEMBL11570162 0.82 ALDH1A1 (0.62) KDM4EALDH1A1HPGDLMNACYP3A4
SCHEMBL4427765 0.80 CHRM1 (0.54) MT-CO2KDM4EALDH1A1PTGS1PTGS2
SCHEMBL29481378 0.80 CHRM1 (0.54) MT-CO2KDM4EALDH1A1PTGS1PTGS2
SCHEMBL12608894 0.79 MT-CO2 (0.60) MT-CO2ALDH1A1PTGS1PTGS2MEN1
Hydrochloric Acid SCHEMBL2584597 0.79 CHRM1 (0.53) MT-CO2KDM4EALDH1A1PTGS1PTGS2
SCHEMBL3810321 0.78 PTGS2 (0.76) MT-CO2KDM4EALDH1A1HPGDPTGS1
SCHEMBL9262003 0.77 PTGS2 (0.69) MT-CO2ALDH1A1HPGDPTGS1PTGS2
SCHEMBL10310896 0.77 MT-CO2 (0.58) MT-CO2PTGS1PTGS2MEN1AKR1B10

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-20090238763-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO., LTD. (CN) 2009-09-24 — — US claimed

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-20090238763-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES MT-CO2 4662/4885KDM4E 4795/4885ALDH1A1 1790/4885

“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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