SCHEMBL13554229

SCHEMBL13554229

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.56
RARG P13631 2/20 0.56
RARA P10276 1/20 0.56
RXRA P19793 1/20 0.56
TRPA1 O75762 5/20 0.50
ALOX5 P09917 1/20 0.48
ALOX15 P16050 1/20 0.48
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
PLA2G1B P04054 1/20 0.43
PLA2G2A P14555 1/20 0.43
POLK Q9UBT6 1/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
BLM P54132 1/20 0.42
ADORA3 P0DMS8 1/20 0.40
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39

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 1.00 RARB (0.56) RARBRARGRARARXRATRPA1
SCHEMBL21369152 0.90 RARB (0.51) RARBRARGRARARXRATRPA1
SCHEMBL10044151 0.89 RARB (0.54) RARBRARGRARARXRATRPA1
SCHEMBL18084341 0.89 RARB (0.54) RARBRARGRARARXRATRPA1
SCHEMBL16671579 0.89 RARB (0.49) RARBRARGRARARXRATRPA1
SCHEMBL24475285 0.86 RARB (0.58) RARBRARGRARARXRATRPA1
SCHEMBL18084306 0.86 RARB (0.51) RARBRARGRARARXRATRPA1
SCHEMBL703377 0.85 RARB (0.60) RARBRARGRARARXRATRPA1
SCHEMBL9202781 0.85 RARB (0.60) RARBRARGRARARXRATRPA1
SCHEMBL703376 0.85 RARB (0.60) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3268346-B1 PROCESSES FOR THE PREPARATION OF UNSATURATED MALONATES INT FLAVORS & FRAGRANCES INC (US) 2021-05-05 EP disclosed
US-10358415-B2 Processes for the preparation of unsaturated malonates INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2019-07-23 US disclosed
US-20180105490-A1 PROCESSES FOR THE PREPARATION OF UNSATURATED MALONATES INTERNATIONAL FLAVORS AND FRAGRANCES INC. 2018-04-19 US disclosed
US-20180105490-A1 PROCESSES FOR THE PREPARATION OF UNSATURATED MALONATES INTERNATIONAL FLAVORS AND FRAGRANCES INC. 2018-04-19 US disclosed
WO-2016145288-A1 PROCESSES FOR THE PREPARATION OF UNSATURATED MALONATES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2016-09-15 WO disclosed
US-8765980-B2 Organic compounds GIVAUDAN S.A. (CH) 2014-07-01 US disclosed
US-8765980-B2 Organic compounds GIVAUDAN S.A. (CH) 2014-07-01 US disclosed
US-20120271059-A1 Organic Compounds GIVAUDAN SA (CH) 2012-10-25 US disclosed
US-20120271059-A1 Organic Compounds GIVAUDAN SA (CH) 2012-10-25 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 (3 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-10358415-B2 Processes for the preparation of unsaturated malonates ME1, ACSL6, MAL2 RARB 87/4885RARG 92/4885RARA 34/4885
US-20120271059-A1 Organic Compounds HSD17B12, HSD17B1, MAL2 RARB 408/4885RARG 568/4885RARA 530/4885
US-20180105490-A1 PROCESSES FOR THE PREPARATION OF UNSATURATED MALONATES ME1, ACSL6, MAL2 RARB 87/4885RARG 92/4885RARA 34/4885

“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.