SCHEMBL19253806

SCHEMBL19253806

CCCCC(CC)COC(=O)C(C)Oc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.52
▸ MAPK1 P28482 3/20 0.52
▸ CYP3A4 P08684 3/20 0.51
▸ CA2 P00918 1/20 0.51
▸ TDP1 Q9NUW8 2/20 0.48
▸ LMNA P02545 3/20 0.47
▸ TSHR P16473 3/20 0.47
▸ ATM Q13315 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.46
▸ PRSS1 P07477 1/20 0.46
▸ PRSS2 P07478 1/20 0.46
▸ PRSS3 P35030 1/20 0.46
▸ EPHX2 P34913 2/20 0.46
▸ PPARA Q07869 2/20 0.44
▸ RECQL P46063 1/20 0.43
▸ PPARG P37231 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41

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
SCHEMBL11051543 0.87 ALDH1A1 (0.60) ALDH1A1MAPK1CYP3A4CA2TDP1
SCHEMBL29908513 0.83 ALDH1A1 (0.69) ALDH1A1MAPK1CYP3A4CA2TDP1
SCHEMBL15810368 0.83 ALDH1A1 (0.69) ALDH1A1MAPK1CYP3A4CA2TDP1
SCHEMBL15810353 0.83 ALDH1A1 (0.69) ALDH1A1MAPK1CYP3A4CA2TDP1
SCHEMBL21381329 0.82 EPHX2 (0.52) ALDH1A1TDP1LMNAEPHX2PPARA
SCHEMBL6440730 0.82 ALDH1A1 (0.58) ALDH1A1MAPK1CYP3A4CA2TDP1
SCHEMBL29777555 0.82 ALDH1A1 (0.58) ALDH1A1MAPK1CYP3A4CA2TDP1
SCHEMBL28257790 0.79 CYP1A2 (0.54) TDP1LMNAEPHX2PPARAPPARG
SCHEMBL13228171 0.79 LMNA (0.47) ALDH1A1MAPK1CYP3A4CA2TDP1
SCHEMBL31349914 0.79 ALDH1A1 (0.54) ALDH1A1MAPK1CYP3A4CA2TDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10542748-B2 Stabilized antimicrobial compositions and methods of use ISOKLEAN LLC (US) 2020-01-28 — — US disclosed
US-20190090481-A1 STABILIZED ANTIMICROBIAL COMPOSITIONS AND METHODS OF USE ISOKLEAN LLC (US) 2019-03-28 — — US disclosed
WO-2017147200-A1 STABILIZED ANTIMICROBIAL COMPOSITIONS AND METHODS OF USE ISOKLEAN LLC (US) 2017-08-31 — — WO disclosed
US-20170238542-A1 STABILIZED ANTIMICROBIAL COMPOSITIONS AND METHODS OF USE ISOKLEAN LLC (US) 2017-08-24 — — 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 (3 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-20170238542-A1 STABILIZED ANTIMICROBIAL COMPOSITIONS AND METHODS OF USE CAPG, AP2S1, YTHDC1 ALDH1A1 4400/4885MAPK1 2593/4885CYP3A4 2878/4885
US-20190090481-A1 STABILIZED ANTIMICROBIAL COMPOSITIONS AND METHODS OF USE CXCL8, MLST8, USP8 ALDH1A1 4381/4885MAPK1 2804/4885CYP3A4 4235/4885
US-10542748-B2 Stabilized antimicrobial compositions and methods of use YTHDC1, AOC1, YTHDF1 ALDH1A1 4421/4885MAPK1 2641/4885CYP3A4 4290/4885

“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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