SCHEMBL972755

SCHEMBL972755

CCCOc1cc(C=O)ccc1O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.76
HPGD P15428 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
TRIM24 O15164 1/20 0.62
ALDH5A1 P51649 1/20 0.62
ABAT P80404 1/20 0.62
TRIM33 Q9UPN9 1/20 0.62
FDPS P14324 1/20 0.54
STK17B O94768 2/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TOP2A P11388 1/20 0.50
AOX1 Q06278 1/20 0.49
KDM4E B2RXH2 2/20 0.48
PTGS2 P35354 1/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
ALPI P09923 1/20 0.47
ALPG P10696 1/20 0.47
ABL1 P00519 1/20 0.46

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
Protocatechualdehyde SCHEMBL6675611 0.95 ALDH1A1 (0.69) ALDH1A1HPGDTDP1TRIM24ALDH5A1
SCHEMBL2890759 0.92 ALDH1A1 (0.73) ALDH1A1HPGDTDP1TRIM24ALDH5A1
SCHEMBL14787812 0.91 ALDH1A1 (0.68) ALDH1A1HPGDTDP1TRIM24ALDH5A1
SCHEMBL14323012 0.90 ALDH1A1 (0.71) ALDH1A1HPGDTDP1TRIM24ALDH5A1
SCHEMBL11503669 0.89 ALDH1A1 (0.69) ALDH1A1HPGDTDP1TRIM24ALDH5A1
SCHEMBL14856076 0.89 ALDH1A1 (0.69) ALDH1A1HPGDTDP1TRIM24ALDH5A1
SCHEMBL1425341 0.87 ALDH1A1 (0.62) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Ethyl Vanillin SCHEMBL29351334 0.86 ALDH1A1 (1.00) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Ethyl Vanillin SCHEMBL30247 0.86 ALDH1A1 (1.00) ALDH1A1HPGDTDP1TRIM24ALDH5A1
Ethyl Vanillin SCHEMBL719058 0.86 ALDH1A1 (1.00) ALDH1A1HPGDTDP1TRIM24ALDH5A1

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 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1087924-B1 METHOD FOR PREPARING P-HYDROXYMANDELIC COMPOUNDS OPTIONALLY SUBSTITUTED RHODIA CHIMIE SA (FR) 2004-02-25 EP claimed
EP-0709361-B1 Process for the preparation of isovanilline RHODIA CHIMIE SA (FR) 1999-02-03 EP claimed
US-5786516-A Process for the preparation of isovanillin RHONE-POULENC CHIMIE (FR) 1998-07-28 US claimed
US-5648552-A Process for the preparation of isovanillin RHONE-POULENC CHIMIE (FR) 1997-07-15 US claimed
WO-1997021794-A1 METHOD FOR PREPARING FRAGRANCE COMPOSITIONS, USES THEREOF AND RESULTING PRODUCTS RHODIA CHIMIE (FR) 1997-06-19 WO claimed
EP-0709361-A1 Process for the preparation of isovanilline RHONE-POULENC CHIMIE (FR) 1996-05-01 EP claimed
EP-0031253-B1 PROCESS FOR PREPARING 3,4-SUBSTITUTED BENZALDEHYDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-10-05 EP claimed
EP-0031253-A1 Process for preparing 3,4-substituted benzaldehydes SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-07-01 EP claimed
EP-3521409-B1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2024-08-14 EP disclosed
CN-108440355-B Thioether compound and synthesis method and application thereof 浙江大学宁波理工学院 2020-11-27 CN disclosed
CN-108084044-B Senecio scandens derivative and application thereof in medicine 湖南天济草堂制药股份有限公司 2020-07-03 CN disclosed
EP-3521409-A2 PERFUME SYSTEMS The Procter & Gamble Company (US) 2019-08-07 EP disclosed
EP-3521409-A2 PERFUME SYSTEMS The Procter & Gamble Company (US) 2019-08-07 EP disclosed
EP-3122847-B1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2019-05-15 EP disclosed
US-4351940-A Chloro- and alkoxy-substituted-2-chloro-4-aminodquinazolines PFIZER INC. (US) 1982-09-28 US disclosed
US-4335263-A MANY STEPS, STARTING WITH ACETYLATION OF M-CRESOL OR P-CRESOL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-06-15 US disclosed
US-4287341-A USEFUL AS ANTIHYPERTENSIVE AGENTS PFIZER INC. (US) 1981-09-01 US disclosed
EP-0031253-A1 Process for preparing 3,4-substituted benzaldehydes SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-07-01 EP disclosed
EP-0028473-A1 Chloro- and alkoxy-substituted-2,4-diaminoquinazolines and pharmaceutical compositions containing them PFIZER INC. (US) 1981-05-13 EP disclosed
US-4090922-A Carrier-vapor distillation BAYER AKTIENGESELLSCHAFT (DT) 1978-05-23 US disclosed