SCHEMBL4445350

SCHEMBL4445350

Cc1ccc2c(c1)OC[CH]CO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MAPT P10636 4/20 0.41
GAA P10253 2/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 2/20 0.40
USP2 O75604 2/20 0.40
CASP1 P29466 2/20 0.40
HBB P68871 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MMP12 P39900 1/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 2/20 0.39
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL30452062 0.81 ALDH1A1 (0.55) ALDH1A1MAPTGAAHSD17B10KDM4E
SCHEMBL30968 0.81 ALDH1A1 (0.55) ALDH1A1MAPTGAAHSD17B10KDM4E
SCHEMBL11905 0.81 MAPT (0.53) ALDH1A1MAPTGAAHSD17B10KDM4E
Hydrochloric Acid SCHEMBL8764874 0.79 ALDH1A1 (0.53) ALDH1A1MAPTGAAHSD17B10KDM4E
SCHEMBL12482146 0.78 ALDH1A1 (0.39) ALDH1A1MAPTGAAHSD17B10KDM4E
SCHEMBL15127492 0.77 ALDH1A1 (0.50) ALDH1A1MAPTGAAHSD17B10KDM4E
SCHEMBL29636337 0.77 ALDH1A1 (0.50) ALDH1A1MAPTGAAHSD17B10KDM4E
SCHEMBL129855 0.77 ALDH1A1 (0.50) ALDH1A1MAPTGAAHSD17B10KDM4E
SCHEMBL12538791 0.77 MAPT (0.41) ALDH1A1MAPTGAAHSD17B10KDM4E
SCHEMBL4445352 0.76 MAPT (0.40) ALDH1A1MAPTGAAHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572938-B2 Precursors for ketones and aldehydes GIVAUDAN SA (CH) 2009-08-11 US claimed
US-20040171516-A1 Precursors for ketones and aldehydes GIVAUDAN SA (CH) 2004-09-02 US claimed
US-7572938-B2 Precursors for ketones and aldehydes GIVAUDAN SA (CH) 2009-08-11 US disclosed
US-20040171516-A1 Precursors for ketones and aldehydes GIVAUDAN SA (CH) 2004-09-02 US disclosed
EP-1262473-A1 Precursors for fragrant ketones and fragrant aldehydes Givaudan SA (CH) 2002-12-04 EP 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-20040171516-A1 Precursors for ketones and aldehydes PDK3, PDK4, AKR1C4 ALDH1A1 13/4885MAPT 3633/4885GAA 1922/4885

“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.