SCHEMBL4932115

SCHEMBL4932115

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

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
THRB P10828 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL51201 0.76 FFAR3 (0.41) MEN1ALDH1A1CYP1A2THRBKMT2A
Hydrochloric Acid SCHEMBL8053454 0.73 FFAR3 (0.39) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL104624 0.73 FFAR3 (0.39) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL4882973 0.73 FFAR3 (0.39) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL28746064 0.73 FFAR3 (0.39) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL3673385 0.73 ALDH1A1 (0.39) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL4382923 0.73 FFAR3 (0.39) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL17818653 0.73 FFAR3 (0.39) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL9489101 0.73 FFAR3 (0.39) MEN1ALDH1A1CYP1A2THRBKMT2A
Hydrochloric Acid SCHEMBL808883 0.73 FFAR3 (0.39) MEN1ALDH1A1CYP1A2THRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080103311-A1 Retroviral protease inhibitors PHARMACIA CORPORATION (US) 2008-05-01 US disclosed
US-6762187-B2 HETEROCYCLIC NITROGEN COMPOUNDS USED AS ENZYME INHIBITORS FOR PROPHYLAXIS OF HUMAN IMMUNODEFICIENCY VIRUS(HIV) MONSANTO COMPANY 2004-07-13 US disclosed
US-20030195227-A1 Retroviral protease inhibitors MONSANTO COMPANY (US) 2003-10-16 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 (2 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-20080103311-A1 Retroviral protease inhibitors PREP, DNPEP, SERPINB1 MEN1 4153/4885ALDH1A1 2859/4885CYP1A2 3513/4885
US-20030195227-A1 Retroviral protease inhibitors MME, PREP, TMPRSS15 MEN1 3106/4885ALDH1A1 2763/4885CYP1A2 2472/4885

“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.