SCHEMBL18196451

SCHEMBL18196451

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
HMGCR P04035 1/20 0.48
CHRM1 P11229 1/20 0.48
TBXA2R P21731 1/20 0.48
ADRA1A P35348 1/20 0.48
DGAT1 O75907 1/20 0.41
CYP2C19 P33261 2/20 0.41
HIF1A Q16665 2/20 0.41
TSHR P16473 2/20 0.41
CYP2D6 P10635 1/20 0.41
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 1/20 0.37
FFAR1 O14842 1/20 0.37
CPT2 P23786 1/20 0.37
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC13A5 Q86YT5 2/20 0.35
ACLY P53396 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
SCHEMBL9249653 0.92 ALDH1A1 (0.41) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL2957588 0.86 ALDH1A1 (0.36) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL10295968 0.82 DGAT1 (0.41) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL2829358 0.82 DGAT1 (0.41) HMGCRCHRM1TBXA2RADRA1ADGAT1
SCHEMBL1544749 0.79 HMGCR (0.44) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL6948226 0.79 HMGCR (0.44) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL28483044 0.78 DGAT1 (0.48) HMGCRCHRM1TBXA2RADRA1ADGAT1
SCHEMBL20377364 0.78 ALDH1A1 (0.36) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL2829360 0.77 ALDH1A1 (0.60) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL2744420 0.76 ALDH1A1 (0.52) ALDH1A1HMGCRCHRM1TBXA2RADRA1A

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-20160368878-A1 REDUCTION-TRIGGERED ANTIBACTERIAL SIDEROMYCINS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-12-22 US disclosed
US-20160319322-A1 PATHOGEN DETECTION UNIVERSITY OF NOTRE DAME DU LAC (US) 2016-11-03 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-20160368878-A1 REDUCTION-TRIGGERED ANTIBACTERIAL SIDEROMYCINS HAMP, SLC40A1, FTH1 ALDH1A1 4009/4885HMGCR 490/4885CHRM1 4562/4885

“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.