SCHEMBL6803525

SCHEMBL6803525

CC(C)(C)[C@H](O)CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGD P52209 2/20 0.50
SLC22A6 Q4U2R8 1/20 0.48
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.41
GABRR1 P24046 2/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
HMGCR P04035 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
ADRA1A P35348 1/20 0.38
GPR84 Q9NQS5 4/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL667280 1.00 PGD (0.50) PGDSLC22A6TSHRSMN1; SMN2MAPT
SCHEMBL6805671 1.00 PGD (0.50) PGDSLC22A6TSHRSMN1; SMN2MAPT
Ammonia Solution, Strong SCHEMBL27881579 0.97 PGD (0.48) PGDSLC22A6TSHRSMN1; SMN2MAPT
SCHEMBL6448085 0.83 ALDH1A1 (0.46) PGDTSHRTDP1CYP2C19
SCHEMBL6448088 0.83 ALDH1A1 (0.46) PGDTSHRTDP1CYP2C19
SCHEMBL14962078 0.80 SLC22A6 (0.52) PGDSLC22A6TSHRSMN1; SMN2MAPT
SCHEMBL3650683 0.79 PGD (0.47) PGDSLC22A6TSHRSMN1; SMN2MAPT
SCHEMBL25660449 0.79 PGD (0.47) PGDSLC22A6SMN1; SMN2MAPTGABRR1
SCHEMBL6462796 0.77 PGD (0.46) PGDSLC22A6SMN1; SMN2MAPTGABRR1
SCHEMBL2467277 0.76 TSHR (0.43) PGDTSHRLMNATDP1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040087569-A1 N-heterocyclic bicyclic lactone compounds NELSON TODD D (US) 2004-05-06 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-20040087569-A1 N-heterocyclic bicyclic lactone compounds VIP, NGLY1, NPPA PGD 1527/4885SLC22A6 933/4885TSHR 1881/4885

“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.