SCHEMBL18932575

SCHEMBL18932575

CCC(CC(O)CC(O)CC(O)CC(O)CC(O)CC(C)O)OC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
PDCD4 Q53EL6 2/20 0.36
PRKCA P17252 2/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
HRH1 P35367 1/20 0.33
MAPT P10636 3/20 0.32
GALR3 O60755 1/20 0.32
BLM P54132 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HSD17B10 Q99714 1/20 0.32
SLC18A3 Q16572 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL18932583 1.00 TSHR (0.37) TSHRPDCD4PRKCACHRM2CHRM4
SCHEMBL12563679 0.88 TSHR (0.42) TSHRPRKCACHRM2CHRM4CHRM1
SCHEMBL15500033 0.87 TSHR (0.40) TSHRPDCD4PRKCACHRM2CHRM4
SCHEMBL12904345 0.87 TSHR (0.35) TSHRPDCD4PRKCACHRM2CHRM4
SCHEMBL20067009 0.86 PRKCA (0.35) PRKCA
SCHEMBL820957 0.84 TSHR (0.37) TSHRPDCD4PRKCACHRM2CHRM4
SCHEMBL13120280 0.84 TSHR (0.37) TSHRPDCD4PRKCACHRM2CHRM4
SCHEMBL18932585 0.83 PRKCA (0.34) TSHRPDCD4PRKCACHRM2CHRM4
SCHEMBL13096216 0.80 TSHR (0.32) TSHRPDCD4CHRM2CHRM4CHRM1
SCHEMBL13096214 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170158611-A1 WATER-SOLUBLE UV-ABSORBING COMPOUNDS AND USES THEREOF ALCON INC. (CH) 2017-06-08 US disclosed
US-20170158611-A1 WATER-SOLUBLE UV-ABSORBING COMPOUNDS AND USES THEREOF ALCON INC. (CH) 2017-06-08 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 (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-20170158611-A1 WATER-SOLUBLE UV-ABSORBING COMPOUNDS AND USES THEREOF CRYZ, UACA, XRCC5 TSHR 3980/4885PDCD4 2431/4885PRKCA 1593/4885

“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.