SCHEMBL5379601

SCHEMBL5379601

Cc1cc(O[Si](C(C)C)(C(C)C)C(C)C)ccc1C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.39
TYR P14679 2/20 0.38
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
TSHR P16473 1/20 0.37
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 2/20 0.35
ERN1 O75460 2/20 0.34
ALDH1A3 P47895 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GRIA1 P42261 1/20 0.32

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
SCHEMBL22974979 0.83 ALDH1A1 (0.50) ALDH1A1TYRTRIM24TRIM33TSHR
SCHEMBL12387362 0.83 TDP1 (0.30) TDP1
SCHEMBL1268203 0.81 ALDH1A1 (0.65) ALDH1A1TYRTRIM24TRIM33TSHR
SCHEMBL29053419 0.79 PRKDC (0.39) ALDH1A1TYRTRIM24TRIM33ERN1
SCHEMBL282124 0.77 AKR1B1 (0.32) ALDH1A1NPC1RAB9AGAATDP1
SCHEMBL3725560 0.77 ALDH1A3 (0.53) ALDH1A1TYRTRIM24TRIM33TSHR
SCHEMBL28264690 0.77 ALDH1A1 (0.44) ALDH1A1TYRTRIM24TRIM33ERN1
SCHEMBL6467176 0.76 ALDH1A1 (0.47) ALDH1A1TYRTRIM24TRIM33TSHR
SCHEMBL22078670 0.75 CA12 (0.47) ALDH1A1TYRTRIM24TRIM33TSHR
SCHEMBL282238 0.75 ALDH1A1 (0.37) ALDH1A1TSHRNPC1PKMRAB9A

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-20070276138-A1 Modulators of peroxisome proliferator activated receptors BROOKS DAWN A 2007-11-29 US disclosed
US-7192982-B2 Modulators of peroxisome proliferator activated receptors LIGAND PHARMACEUTICALS, INC. (US) 2007-03-20 US disclosed
US-7192982-B2 Modulators of peroxisome proliferator activated receptors LIGAND PHARMACEUTICALS, INC. (US) 2007-03-20 US disclosed
US-20050020684-A1 Modulators of peroxisome proliferator activated receptors ELI LILLY AND COMPANY 2005-01-27 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 (2 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-20050020684-A1 Modulators of peroxisome proliferator activated receptors NCOA4, PPARG, PPARA ALDH1A1 2292/4885TYR 3443/4885TRIM24 3946/4885
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors PPARG, NCOA4, PPARA ALDH1A1 2029/4885TYR 3446/4885TRIM24 4120/4885

“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.