SCHEMBL112002

SCHEMBL112002

O=C(O)C(=Cc1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 2/20 0.59
TP53 P04637 1/20 0.57
HTT P42858 2/20 0.55
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 2/20 0.54
GAA P10253 1/20 0.54
CES2 O00748 4/20 0.52
CES1 P23141 4/20 0.52
AKR1C3 P42330 2/20 0.50
MEN1 O00255 2/20 0.47
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
AKR1C2 P52895 1/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP1A2 P05177 1/20 0.45

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
SCHEMBL112001 1.00 AKR1C1 (0.59) AKR1C1TP53HTTKMT2AALDH1A1
SCHEMBL4730607 1.00 AKR1C1 (0.59) AKR1C1TP53HTTKMT2AALDH1A1
Nitrous Acid SCHEMBL4946663 0.93 AKR1C1 (0.52) AKR1C1TP53HTTKMT2AALDH1A1
SCHEMBL10664130 0.91 KMT2A (0.57) AKR1C1TP53HTTKMT2AALDH1A1
SCHEMBL7913680 0.87 KMT2A (0.54) AKR1C1TP53HTTKMT2AALDH1A1
SCHEMBL28258743 0.87 CES2 (0.58) AKR1C1TP53HTTKMT2AALDH1A1
SCHEMBL7913686 0.87 KMT2A (0.54) AKR1C1TP53HTTKMT2AALDH1A1
SCHEMBL4972259 0.84 TP53 (0.68) AKR1C1TP53HTTKMT2AALDH1A1
SCHEMBL4972255 0.84 TP53 (0.68) AKR1C1TP53HTTKMT2AALDH1A1
SCHEMBL29898330 0.84 TP53 (0.75) AKR1C1TP53HTTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630781-B2 Fragrance or flavour mixture SYMRISE AG (DE) 2026-05-19 US disclosed
WO-2025067661-A1 MICROWAVE-ASSISTED EXTRACTION OF CUCURBITACEAE SYMRISE AG (DE) 2025-04-03 WO disclosed
WO-2025068362-A1 MICROWAVE-ASSISTED EXTRACTION OF PLANTS SYMRISE AG (DE) 2025-04-03 WO disclosed
US-20240392208-A1 CYCLOPROPANATED FRAGRANCE COMPOUNDS SYMRISE AG (DE) 2024-11-28 US disclosed
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-4402230-A1 CYCLOPROPANATED FRAGRANCE COMPOUNDS Symrise AG (DE) 2024-07-24 EP 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
CN-101462990-A Sulfide compound with multi-substituent, derivative and process for synthesizing the same RENMIN UNIVERSITY OF CHINA (CN) 2009-06-24 CN disclosed
WO-2009018609-A1 HEPATITIS C ANTIVIRAL COMPOSITIONS AND METHODS BIOTROM LIMITED (AU) 2009-02-12 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
US-20080181920-A1 COSMETIC PREPARATION AGAINST SKIN PIGMENTATION BEIERSDORF AG (DE) 2008-07-31 US disclosed
WO-2008060844-A1 POLYMERIZATION INHIBITOR COMPOSITIONS, THEIR PREPARATION, AND THEIR USE ALBEMARLE CORPORATION (US) 2008-05-22 WO disclosed
US-20050014928-A1 Epoxy resin polymer and alignment film materials containing same for liquid crystal display ETERNAL CHEMICAL CO., LTD. (TW) 2005-01-20 US disclosed
US-5326900-A Aromatic keto compounds, the preparation thereof, and drugs and cosmetics containing these BASF AKTIENGESELLSCHAFT (DE) 1994-07-05 US disclosed
US-5194664-A Aromatic keto compounds, the preparation thereof, and drugs and cosmetics containing these BASF AKTIENGESELLSCHAFT (DE) 1993-03-16 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 (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-12630781-B2 Fragrance or flavour mixture NOTUM, FFAR2, FFAR1 AKR1C1 182/4885TP53 1874/4885HTT 4435/4885

“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.