SCHEMBL21369152

SCHEMBL21369152

CCCCOC(=O)C/C=C(\C)CCC1=C(C)CCCC1(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.51
RARG P13631 2/20 0.51
RARA P10276 1/20 0.51
RXRA P19793 1/20 0.51
TRPA1 O75762 5/20 0.47
ALOX5 P09917 1/20 0.45
ALOX15 P16050 1/20 0.45
ALDH1A1 P00352 4/20 0.43
ADORA3 P0DMS8 1/20 0.43
PLA2G1B P04054 1/20 0.40
PLA2G2A P14555 1/20 0.40
POLK Q9UBT6 1/20 0.40
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
BLM P54132 1/20 0.39
TDP1 Q9NUW8 2/20 0.36
CYP3A4 P08684 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
SCHEMBL16670830 0.90 RARB (0.56) RARBRARGRARARXRATRPA1
SCHEMBL18084341 0.84 RARB (0.54) RARBRARGRARARXRATRPA1
SCHEMBL10044151 0.84 RARB (0.54) RARBRARGRARARXRATRPA1
SCHEMBL16671579 0.83 RARB (0.49) RARBRARGRARARXRATRPA1
SCHEMBL24475285 0.81 RARB (0.58) RARBRARGRARARXRATRPA1
SCHEMBL18084306 0.81 RARB (0.51) RARBRARGRARARXRATRPA1
SCHEMBL703377 0.80 RARB (0.60) RARBRARGRARARXRATRPA1
SCHEMBL9202781 0.80 RARB (0.60) RARBRARGRARARXRATRPA1
SCHEMBL703376 0.80 RARB (0.60) RARBRARGRARARXRATRPA1
SCHEMBL24228266 0.78 ALOX15 (0.57) RARBRARGRARARXRATRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858948-B2 Hydrogenation of carbonyls with tetradentate PNNP ligand ruthenium complexes FIRMENICH SA (CH) 2024-01-02 US disclosed
US-11858948-B2 Hydrogenation of carbonyls with tetradentate PNNP ligand ruthenium complexes FIRMENICH SA (CH) 2024-01-02 US disclosed
US-11858948-B2 Hydrogenation of carbonyls with tetradentate PNNP ligand ruthenium complexes FIRMENICH SA (CH) 2024-01-02 US disclosed
EP-3700914-B1 HYDROGENATION OF CARBONYLS WITH TETRADENTATE PNNP LIGAND RUTHENIUM COMPLEXES FIRMENICH & CIE (CH) 2022-02-02 EP disclosed
EP-3700914-B1 HYDROGENATION OF CARBONYLS WITH TETRADENTATE PNNP LIGAND RUTHENIUM COMPLEXES FIRMENICH & CIE (CH) 2022-02-02 EP disclosed
US-20200399299-A1 HYDROGENATION OF CARBONYLS WITH TETRADENTATE PNNP LIGAND RUTHENIUM COMPLEXES FIRMENICH SA (CH) 2020-12-24 US disclosed
WO-2019175158-A1 HYDROGENATION OF CARBONYLS WITH TETRADENTATE PNNP LIGAND RUTHENIUM COMPLEXES FIRMENICH SA (CH) 2019-09-19 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 (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-11858948-B2 Hydrogenation of carbonyls with tetradentate PNNP ligand ruthenium complexes ADH1C, ADH1A, ADH5 RARB 2983/4885RARG 2648/4885RARA 3378/4885
US-20200399299-A1 HYDROGENATION OF CARBONYLS WITH TETRADENTATE PNNP LIGAND RUTHENIUM COMPLEXES ADH1C, ADH1A, ADH5 RARB 2983/4885RARG 2648/4885RARA 3378/4885

“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.