SCHEMBL2903696

SCHEMBL2903696

CC/C=C\C/C=C\C/C=C\C/C=C\CC/C=C/CS

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
CYP19A1 P11511 4/20 0.46
PPARG P37231 3/20 0.46
OXER1 Q8TDS5 3/20 0.46
MAPT P10636 3/20 0.46
RXRA P19793 2/20 0.46
FFAR1 O14842 2/20 0.46
PPARA Q07869 3/20 0.45
PTGS1 P23219 4/20 0.43
F7 P08709 3/20 0.43
F3 P13726 3/20 0.43
KMT2A Q03164 2/20 0.43
PPARD Q03181 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
NR1I2 O75469 2/20 0.41
PTGS2 P35354 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
PLA2G1B P04054 1/20 0.41

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
SCHEMBL351755 0.86 ALDH1A1 (0.56) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL351756 0.86 ALDH1A1 (0.56) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL129282 0.83
SCHEMBL2489930 0.83
SCHEMBL12942555 0.83
SCHEMBL1551344 0.81 ALDH1A1 (0.48) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL17798939 0.81 ALDH1A1 (0.48) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL1551340 0.81 ALDH1A1 (0.48) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL17798937 0.81 ALDH1A1 (0.48) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL20828115 0.79 ALDH1A1 (0.35) ALDH1A1CYP19A1PPARGOXER1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217224-B1 LIPID COMPOUNDS FOR USE IN COSMETIC PRODUCTS, AS FOOD SUPPLEMENT OR AS A MEDICAMENT BASF AS (NO) 2019-05-08 EP disclosed
EP-3247700-B1 PROCESS FOR THE PREPARATION OF A POLYUNSATURATED KETONE COMPOUND AVEXXIN AS (NO) 2019-03-20 EP disclosed
EP-3398936-A1 PROCESS FOR THE PREPARATION OF A POLYUNSATURATED KETONE COMPOUND Avexxin AS (NO) 2018-11-07 EP disclosed
US-10093618-B2 Process for the preparation of a polyunsaturated ketone compound AVEXXIN AS (NO) 2018-10-09 US disclosed
EP-3024818-B1 PROCESS FOR THE PREPARATION OF A POLYUNSATURATED KETONE COMPOUND AVEXXIN AS (NO) 2018-04-04 EP disclosed
US-20180009745-A1 PROCESS FOR THE PREPARATION OF A POLYUNSATURATED KETONE COMPOUND AVEXXIN AS (NO) 2018-01-11 US disclosed
WO-2016116634-A1 PROCESS FOR THE PREPARATION OF A POLYUNSATURATED KETONE COMPOUND AVEXXIN AS (NO) 2016-07-28 WO disclosed
US-20160159737-A1 PROCESS FOR THE PREPARATION OF A POLYUNSATURATED KETONE COMPOUND AVEXXIN AS (NO) 2016-06-09 US disclosed
US-20160159737-A1 PROCESS FOR THE PREPARATION OF A POLYUNSATURATED KETONE COMPOUND AVEXXIN AS (NO) 2016-06-09 US disclosed
US-20160159737-A1 PROCESS FOR THE PREPARATION OF A POLYUNSATURATED KETONE COMPOUND AVEXXIN AS (NO) 2016-06-09 US disclosed
WO-2015011206-A1 PROCESS FOR THE PREPARATION OF A POLYUNSATURATED KETONE COMPOUND AVEXXIN AS (NO) 2015-01-29 WO disclosed
US-8741966-B2 Lipid compounds for use in cosmetic products, as food supplement or as a medicament PRONOVA BIOPHARMA NORGE AS (NO) 2014-06-03 US disclosed
US-8741966-B2 Lipid compounds for use in cosmetic products, as food supplement or as a medicament PRONOVA BIOPHARMA NORGE AS (NO) 2014-06-03 US disclosed
US-8741966-B2 Lipid compounds for use in cosmetic products, as food supplement or as a medicament PRONOVA BIOPHARMA NORGE AS (NO) 2014-06-03 US disclosed
US-20100280109-A1 LIPID COMPOUNDS FOR USE IN COSMETIC PRODUCTS, AS FOOD SUPPLEMENT OR AS A MEDICAMENT PRONOVA BIOPHARMA NORGE AS (NO) 2010-11-04 US disclosed
US-20100280109-A1 LIPID COMPOUNDS FOR USE IN COSMETIC PRODUCTS, AS FOOD SUPPLEMENT OR AS A MEDICAMENT PRONOVA BIOPHARMA NORGE AS (NO) 2010-11-04 US disclosed
US-20100280109-A1 LIPID COMPOUNDS FOR USE IN COSMETIC PRODUCTS, AS FOOD SUPPLEMENT OR AS A MEDICAMENT PRONOVA BIOPHARMA NORGE AS (NO) 2010-11-04 US disclosed
EP-2217224-A1 LIPID COMPOUNDS FOR USE IN COSMETIC PRODUCTS, AS FOOD SUPPLEMENT OR AS A MEDICAMENT Pronova BioPharma Norge AS (NO) 2010-08-18 EP disclosed
WO-2009061208-A1 LIPID COMPOUNDS FOR USE IN COSMETIC PRODUCTS, AS FOOD SUPPLEMENT OR AS A MEDICAMENT PRONOVA BIOPHARMA NORGE AS (NO) 2009-05-14 WO disclosed
WO-2009061208-A1 LIPID COMPOUNDS FOR USE IN COSMETIC PRODUCTS, AS FOOD SUPPLEMENT OR AS A MEDICAMENT PRONOVA BIOPHARMA NORGE AS (NO) 2009-05-14 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 (4 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-10093618-B2 Process for the preparation of a polyunsaturated ketone compound ALOX15, FADS1, FASN ALDH1A1 750/4885CYP19A1 457/4885PPARG 140/4885
US-20180009745-A1 PROCESS FOR THE PREPARATION OF A POLYUNSATURATED KETONE COMPOUND GK, GPX4, GLRX3 ALDH1A1 515/4885CYP19A1 1393/4885PPARG 133/4885
US-20100280109-A1 LIPID COMPOUNDS FOR USE IN COSMETIC PRODUCTS, AS FOOD SUPPLEMENT OR AS A MEDICAMENT SGMS1, SGMS2, C1S ALDH1A1 327/4885CYP19A1 418/4885PPARG 209/4885
US-20160159737-A1 PROCESS FOR THE PREPARATION OF A POLYUNSATURATED KETONE COMPOUND ALOX15, FADS1, FASN ALDH1A1 750/4885CYP19A1 457/4885PPARG 140/4885

“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.