SCHEMBL112003

SCHEMBL112003

O=C(O)C=C(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 8/20 0.56
CES1 P23141 7/20 0.56
AKR1C1 Q04828 1/20 0.47
NFE2L2 Q16236 1/20 0.45
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
DAO P14920 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPK1 P28482 1/20 0.43
AKT1 P31749 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
PARP1 P09874 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C19 P33261 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
Nitrous Acid SCHEMBL27814127 0.92 CES2 (0.48) CES2CES1AKR1C1NFE2L2ALDH1A1
SCHEMBL164580 0.84 AKR1C1 (0.59) CES2CES1AKR1C1NFE2L2ALDH1A1
SCHEMBL165294 0.84 AKR1C1 (0.59) CES2CES1AKR1C1NFE2L2ALDH1A1
SCHEMBL164579 0.84 AKR1C1 (0.59) CES2CES1AKR1C1NFE2L2ALDH1A1
SCHEMBL210320 0.83 AKR1C1 (0.44) CES2CES1AKR1C1NFE2L2ALDH1A1
Hydrochloric Acid SCHEMBL3674640 0.82 AKR1C1 (0.57) CES2CES1AKR1C1NFE2L2ALDH1A1
SCHEMBL728125 0.80 TSHR (0.50) CES2CES1TSHRRAB9A
SCHEMBL8764232 0.80 CYP2C19 (0.50) CES2CES1AKR1C1NFE2L2ALDH1A1
SCHEMBL4651337 0.80 CES2 (0.52) CES2CES1AKR1C1NFE2L2ALDH1A1
SCHEMBL5273984 0.80 AKR1C1 (0.45) CES2CES1AKR1C1NFE2L2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12128257-B2 Extracts of Isochrysis sp SYMRISE AG (DE) 2024-10-29 US disclosed
US-20240335364-A1 COMPOSITIONS OF DICAFFEOYLQUINIC ACIDS WITH TOCOPHEROL SYMRISE AG (DE) 2024-10-10 US disclosed
EP-4442241-A2 RETINOL REPLACEMENT IN SKIN TREATMENT Symrise AG (DE) 2024-10-09 EP disclosed
EP-3615147-B1 YARROW FRESH-PLANT PRESSED JUICE CONCENTRATE, PRODUCTION, AND USE SYMRISE AG (DE) 2024-09-11 EP disclosed
EP-3773445-B1 RETINOL REPLACEMENT IN SKIN TREATMENT SYMRISE AG (DE) 2024-07-24 EP disclosed
EP-4373462-A1 COMPOSITIONS OF DICAFFEOYLQUINIC ACIDS WITH TOCOPHEROL Symrise AG (DE) 2024-05-29 EP disclosed
US-20240130957-A1 EXTRACTS OF ISOCHRYSIS SPECIES/TISOCHRYSIS SPECIES SYMRISE AG (DE) 2024-04-25 US disclosed
CN-117651544-A Synergistic effect of dicaffeoylquinic acid and tocopherol 西姆莱斯有限公司 2024-03-05 CN disclosed
US-11801210-B2 Retinol replacement in skin treatment SYMRISE AG (DE) 2023-10-31 US disclosed
EP-4259090-A1 EXTRACTS OF ISOCHRYSIS SPECIES / TISOCHRYSIS SPECIES Symrise AG (DE) 2023-10-18 EP disclosed
WO-2010089421-A2 MENTHYL CARBAMATE COMPOUNDS AS ACTIVE ANTI-CELLULITE INGREDIENTS SYMRISE GMBH & CO. KG (DE) 2010-08-12 WO disclosed
WO-2010070152-A2 USE OF DIHYDRODEHYDRODIISOEUGENOL AND PREPARATIONS COMPRISING DIHYDRODEHYDRODIISOEUGENOL SYMRISE GMBH & CO. KG (DE) 2010-06-24 WO disclosed
US-20100143267-A1 EXTRACTS OF TETRASELMIS SP. SYMRISE GMBH & CO. KG (DE) 2010-06-10 US disclosed
EP-2193785-A2 Extracts of Tetraselmis sp. for cosmetic and therapeutic purposes Symrise GmbH & Co. KG (DE) 2010-06-09 EP disclosed
US-20100080761-A1 Extracts of Isochrysis sp. SYMRISE GMBH & CO. KG (DE) 2010-04-01 US disclosed
EP-2168570-A2 Extracts of isochrysis sp. Symrise GmbH & Co. KG (DE) 2010-03-31 EP disclosed
WO-2010000877-A2 FORMULATION WITH IRRITATION REDUCING ACTION COMPRISING BISABOLOL AND [6]-PARADOL SYMRISE GMBH & CO. KG (DE) 2010-01-07 WO disclosed
WO-2009101216-A2 OMEGA-CYCLOHEXYLALKAN-1-OLES AND USE THEREOF AS ANTIMICROBIAL ACTIVES TO COMBAT BODY ODOR SYMRISE GMBH & CO. KG (DE) 2009-08-20 WO disclosed
WO-2009087242-A2 COMPOSITIONS COMPRISING TRANS-TERT-BUTYL CYCLOHEXANOL AS SKIN IRRITATION-REDUCING AGENT SYMRISE GMBH & CO. KG (DE) 2009-07-16 WO disclosed
WO-2008119841-A2 COMPOSITIONS COMPRISING BENZYL ALCOHOL DERIVATIVES AND FURTHER ANTIMICROBIAL ACTIVE COMPOUNDS SYMRISE GMBH & CO. KG (DE) 2008-10-09 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 (1 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-11801210-B2 Retinol replacement in skin treatment RBP1, RBP4, LRAT CES2 1372/4885CES1 149/4885AKR1C1 28/4885

“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.