SCHEMBL19963501

SCHEMBL19963501

CC(C)(CCC(=O)O)OCCC(C)(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 1/20 0.44
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 2/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
KMT2A Q03164 1/20 0.37
ACLY P53396 1/20 0.36
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
PPARA Q07869 8/20 0.35
TSHR P16473 3/20 0.33
CYP2C9 P11712 2/20 0.33
TTR P02766 1/20 0.33
CYP2C8 P10632 1/20 0.33
CHRM1 P11229 1/20 0.33
ADRA1A P35348 1/20 0.33
PPARG P37231 1/20 0.33
HTR2B P41595 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLCO1B3 Q9NPD5 1/20 0.33

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
SCHEMBL20374757 0.84 NAALAD2 (0.38) NAALAD2ALDH1A1CYP1A2MEN1THRB
SCHEMBL17662429 0.82 NAALAD2 (0.37) NAALAD2ALDH1A1CYP1A2MEN1THRB
SCHEMBL23074633 0.81 ACLY (0.36) CYP1A2ACLYACACBACACAPPARA
SCHEMBL14905179 0.81 ACLY (0.36) NAALAD2CYP1A2ACLYACACBACACA
SCHEMBL4967281 0.81 ALDH1A1 (0.41) NAALAD2ALDH1A1CYP1A2MEN1THRB
SCHEMBL25148545 0.81 ALDH1A1 (0.37) NAALAD2ALDH1A1CYP1A2MEN1THRB
SCHEMBL13246588 0.81 NAALAD2 (0.36) NAALAD2ALDH1A1CYP1A2MEN1THRB
SCHEMBL21011730 0.81 ACLY (0.36) CYP1A2ACLYACACBACACAPPARA
SCHEMBL22872160 0.81 NAALAD2 (0.36) NAALAD2ALDH1A1CYP1A2MEN1THRB
SCHEMBL19173121 0.79 NAALAD2 (0.39) NAALAD2ALDH1A1CYP1A2MEN1THRB

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-20230250053-A1 PROCESS FOR SYNTHESIZING TARGETING MOLECULES BRISTOL-MYERS SQUIBB COMPANY 2023-08-10 US disclosed
WO-2018046801-A1 SULPHUR-CONTAINING POLYAMIDES AND METHODS FOR PRODUCING THE SAME NESTE CORPORATION (FI) 2018-03-15 WO 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-20230250053-A1 PROCESS FOR SYNTHESIZING TARGETING MOLECULES RARG, RARA, RARB NAALAD2 3978/4885ALDH1A1 808/4885CYP1A2 3135/4885

“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.