SCHEMBL6355736

SCHEMBL6355736

CCCCCCC1CC(O)OC(C(C)C)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.43
▸ EPHX1 P07099 1/20 0.41
▸ PPARG P37231 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ SPHK2 Q9NRA0 3/20 0.34
▸ SPHK1 Q9NYA1 3/20 0.34
▸ GRM2 Q14416 2/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ GBA1 P04062 3/20 0.32
▸ PRKD3 O94806 1/20 0.31
▸ PRKCG P05129 1/20 0.31
▸ PRKCB P05771 1/20 0.31
▸ PRKCA P17252 1/20 0.31
▸ PRKCH P24723 1/20 0.31
▸ PRKCI P41743 1/20 0.31
▸ PRKCE Q02156 1/20 0.31
▸ PRKCQ Q04759 1/20 0.31
▸ PRKCZ Q05513 1/20 0.31
▸ PRKCD Q05655 1/20 0.31
▸ PRKD1 Q15139 1/20 0.31

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
SCHEMBL6554483 0.77 ALDH1A1 (0.46) ALDH1A1EPHX1PPARGCYP1A2SPHK2
SCHEMBL4652808 0.76 ALDH1A1 (0.48) ALDH1A1EPHX1PPARGCYP1A2SPHK2
SCHEMBL11076526 0.75 ALDH1A1 (0.62) ALDH1A1EPHX1CYP1A2SPHK2SPHK1
SCHEMBL11083098 0.75 ALDH1A1 (0.62) ALDH1A1EPHX1CYP1A2SPHK2SPHK1
SCHEMBL4651442 0.74 ALDH1A1 (0.45) ALDH1A1EPHX1PPARGCYP1A2SPHK2
SCHEMBL14496139 0.74 ALDH1A1 (0.45) ALDH1A1EPHX1PPARGCYP1A2SPHK2
SCHEMBL24593929 0.73 ALDH1A1 (0.41) ALDH1A1EPHX1PPARGCYP1A2SPHK2
SCHEMBL22470028 0.72 ALDH1A1 (0.52) ALDH1A1EPHX1PPARGCYP1A2SPHK2
SCHEMBL22484690 0.72 ALDH1A1 (0.52) ALDH1A1EPHX1PPARGCYP1A2SPHK2
SCHEMBL6356929 0.72 DAGLA (0.43) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050026998-A1 Compounds for the controlled release of active aldehydes FIRMENICH SA (CH) 2005-02-03 — — US claimed
EP-1487815-A1 COMPOUNDS FOR THE CONTROLLED RELEASE OF ACTIVE ALDEHYDES FIRMENICH SA (CH) 2004-12-22 — — EP claimed
WO-2003082850-A1 COMPOUNDS FOR THE CONTROLLED RELEASE OF ACTIVE ALDEHYDES FIRMENICH SA (CH) 2003-10-09 — — WO claimed
US-20050026998-A1 Compounds for the controlled release of active aldehydes FIRMENICH SA (CH) 2005-02-03 — — US disclosed
EP-1487815-A1 COMPOUNDS FOR THE CONTROLLED RELEASE OF ACTIVE ALDEHYDES FIRMENICH SA (CH) 2004-12-22 — — EP disclosed
WO-2003082850-A1 COMPOUNDS FOR THE CONTROLLED RELEASE OF ACTIVE ALDEHYDES FIRMENICH SA (CH) 2003-10-09 — — WO 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-20050026998-A1 Compounds for the controlled release of active aldehydes ALDH1A1, ADH5, ALDH16A1 ALDH1A1 1/4885EPHX1 763/4885PPARG 2891/4885

“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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