SCHEMBL8815411

SCHEMBL8815411

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
HTT P42858 1/20 0.33
ACLY P53396 3/20 0.32
ABCC4 O15439 1/20 0.32
MAPT P10636 1/20 0.32
CPT2 P23786 1/20 0.31
LMNA P02545 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
SCHEMBL16418481 0.87 TSHR (0.37) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL873725 0.85 TSHR (0.45) ALDH1A1TSHRHTTABCC4MAPT
SCHEMBL17818667 0.82 ALDH1A1 (0.43) ALDH1A1TSHRHTTABCC4MAPT
SCHEMBL25199379 0.80 ALDH1A1 (0.36) ALDH1A1TSHRHTT
SCHEMBL2580506 0.77 ALDH1A1 (0.37) ALDH1A1TSHRHTTABCC4MAPT
SCHEMBL16823397 0.76 ALDH1A1 (0.39) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL29901361 0.76 ALDH1A1 (0.39) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
Boric Acid SCHEMBL28756071 0.76 ALDH1A1 (0.39) ALDH1A1TSHRHTT
SCHEMBL462608 0.76 ALDH1A1 (0.39) ALDH1A1TSHRHTT
SCHEMBL10544728 0.76 ALDH1A1 (0.39) ALDH1A1TSHRHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9279478-A None JP disclosed
US-20240066132-A1 NOVEL FATTY ACIDS AND THEIR USE IN CONJUGATION TO BIOMOLECULES NOVARTIS AG (CH) 2024-02-29 US disclosed
US-11752211-B2 Fatty acids and their use in conjugation to biomolecules NOVARTIS AG (CH) 2023-09-12 US disclosed
US-20170107248-A1 SITE SPECIFIC PROTEIN MODIFICATIONS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2017-04-20 US disclosed
US-9266925-B2 Cyclic polypeptides for the treatment of heart failure NOVARTIS AG (CH) 2016-02-23 US disclosed
US-20160030585-A1 NOVEL FATTY ACIDS AND THEIR USE IN CONJUGATION TO BIOMOLECULES NOVARTIS AG (CH) 2016-02-04 US disclosed
US-20150031604-A1 CYCLIC POLYPEPTIDES FOR THE TREATMENT OF HEART FAILURE NOVARTIS AG (CH) 2015-01-29 US disclosed
JP-H09279478-A TREATING AGENT FOR FIBER NOF CORP 1997-10-28 JP 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 (5 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-20160030585-A1 NOVEL FATTY ACIDS AND THEIR USE IN CONJUGATION TO BIOMOLECULES FABP1, FABP2, FABP3 ALDH1A1 849/4885TSHR 828/4885CYP2D6 2119/4885
US-20150031604-A1 CYCLIC POLYPEPTIDES FOR THE TREATMENT OF HEART FAILURE NPY1R, ACKR3, IAPP ALDH1A1 2536/4885TSHR 1003/4885CYP2D6 2010/4885
US-20240066132-A1 NOVEL FATTY ACIDS AND THEIR USE IN CONJUGATION TO BIOMOLECULES FABP1, FABP2, FABP3 ALDH1A1 849/4885TSHR 828/4885CYP2D6 2119/4885
US-11752211-B2 Fatty acids and their use in conjugation to biomolecules FABP1, FABP2, FABP3 ALDH1A1 907/4885TSHR 620/4885CYP2D6 1688/4885
US-20170107248-A1 SITE SPECIFIC PROTEIN MODIFICATIONS PTMS, DNPEP, ANPEP ALDH1A1 4438/4885TSHR 2557/4885CYP2D6 4430/4885

“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.