SCHEMBL181529

SCHEMBL181529

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Known targets — ChEMBL curated mechanism

ADRB2

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 4/20 1.00
AKR1C3 P42330 4/20 0.68
AKR1C2 P52895 3/20 0.68
PTGS2 P35354 1/20 0.66
KMT2A Q03164 5/20 0.63
MEN1 O00255 4/20 0.63
ALDH1A1 P00352 3/20 0.63
POLB P06746 2/20 0.63
HPGD P15428 2/20 0.63
HTT P42858 2/20 0.63
MAPT P10636 2/20 0.63
KDM4E B2RXH2 1/20 0.63
LMNA P02545 1/20 0.63
MAPK1 P28482 1/20 0.63
PLA2G1B P04054 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL290469 1.00 AKR1C1 (1.00) AKR1C1AKR1C3AKR1C2PTGS2KMT2A
SCHEMBL39275 1.00 AKR1C1 (1.00) AKR1C1AKR1C3AKR1C2PTGS2KMT2A
SCHEMBL27448137 0.98 AKR1C1 (0.96) AKR1C1AKR1C3AKR1C2PTGS2KMT2A
Benzophenone SCHEMBL28139683 0.94 AKR1C1 (0.88) AKR1C1AKR1C3AKR1C2PTGS2KMT2A
Ethylene Glycol SCHEMBL27995732 0.92 AKR1C1 (0.85) AKR1C1AKR1C3AKR1C2PTGS2KMT2A
Alcohol SCHEMBL27937505 0.90 AKR1C1 (0.81) AKR1C1AKR1C3AKR1C2PTGS2KMT2A
SCHEMBL9298399 0.90 AKR1C1 (0.81) AKR1C1AKR1C3AKR1C2PTGS2KMT2A
SCHEMBL1416571 0.90 AKR1C1 (0.81) AKR1C1AKR1C3AKR1C2PTGS2KMT2A
Methacrylic Acid SCHEMBL1838687 0.89 AKR1C1 (0.79) AKR1C1AKR1C3AKR1C2PTGS2KMT2A
SCHEMBL13092046 0.88 AKR1C1 (0.78) AKR1C1AKR1C3AKR1C2PTGS2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119874466-A N, N-dimethylamide compound and synthesis method thereof 海南大学 2025-04-25 CN claimed
EP-2042168-B1 Inhalation formulation comprising phenethanolamine derivatives for the treatment of respiratory diseases GLAXO GROUP LTD (GB) 2013-10-23 EP claimed
EP-1427386-B1 PRODUCTS FOR PREVENTING PENETRATION INTO THE SKIN YISSUM RES DEV CO (IL) 2010-10-20 EP claimed
US-7736630-B2 Products for preventing penetration into the skin YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2010-06-15 US claimed
US-7732625-B2 Colorant compounds XEROX CORPORATION (US) 2010-06-08 US claimed
EP-1425001-B1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LTD (GB) 2008-12-17 EP claimed
US-7311767-B2 Forming a salt of a liquid phase change ink carrier of stearyl stearamide, an amine substituted Xanthene, acridine, anthracene or thioxanthene chromogen, and a metal salt capable of forming a compound with two chromogens XEROX CORPORATION (US) 2007-12-25 US claimed
US-20070037874-A1 Manufacturing process of isoflavan or isoflavene derivatives BICBIO CO., LTD. (KR) 2007-02-15 US claimed
US-7033424-B2 Phase change inks XEROX CORPORATION (US) 2006-04-25 US claimed
US-20060021546-A1 Processes for preparing phase change inks XEROX CORPORATION 2006-02-02 US claimed
US-20060020141-A1 Metallized dye XEROX CORPORATION 2006-01-26 US claimed
US-20060016369-A1 PHASE CHANGE INKS XEROX CORPORATION 2006-01-26 US claimed
US-6946025-B2 Process for preparing tetra-amide compounds XEROX CORPORATION (US) 2005-09-20 US claimed
US-6916890-B1 Thermally reworkable epoxy resins and compositions based thereon HENKEL CORPORATION (US) 2005-07-12 US claimed
US-20050090690-A1 Process for preparing tetra-amide compounds XEROX CORPORATION 2005-04-28 US claimed
WO-2005037815-A1 A MANUFACTURING PROCESS OF ISOFLAVAN OR ISOFLAVENE DERIVATIVES BICBIO CO., LTD. (KR) 2005-04-28 WO claimed
US-4356247-A LITHOGRAPHY; PRINTING PLATES; PHOTORESISTS; HIGH-SPEED SENSITIZERS; SOTRAGE STABILITY FUJI PHOTO FILM CO., LTD. (JP) 1982-10-26 US claimed
US-20260044082-A1 RESIST UNDERLAYER FILM-FORMING COMPOSITION NISSAN CHEMICAL CORPORATION (JP) 2026-02-12 US disclosed
US-4247597-A Electroscopic carrier particles having a carboxylic acid surface treatment PITNEY BOWES, INC. (US) 1981-01-27 US disclosed
US-4067857-A Polyester catalyst system comprising an antimony-containing polycondensation catalyst and an ethylenically unsaturated compound and process employing same STAUFFER CHEMICAL COMPANY (US) 1978-01-10 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 (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-20070037874-A1 Manufacturing process of isoflavan or isoflavene derivatives CYP51A1, CYP2E1, CYP2F1 AKR1C1 190/4885AKR1C3 291/4885AKR1C2 221/4885
US-20060020141-A1 Metallized dye CDYL, CDY1; CDY1B, CDYL2 AKR1C1 2043/4885AKR1C3 1660/4885AKR1C2 2523/4885
US-20050090690-A1 Process for preparing tetra-amide compounds TAF9, TAF5, TAF1 AKR1C1 2446/4885AKR1C3 3104/4885AKR1C2 2236/4885
US-20260044082-A1 RESIST UNDERLAYER FILM-FORMING COMPOSITION MMS19, PARG, EPCAM AKR1C1 3275/4885AKR1C3 3434/4885AKR1C2 3287/4885

“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.