SCHEMBL3633503

SCHEMBL3633503

O=C(O)Cc1ccccc1C1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.54
AKR1B1 P15121 2/20 0.50
NAAA Q02083 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
CXCL8 P10145 3/20 0.42
PTGS2 P35354 2/20 0.41
AKR1B10 O60218 1/20 0.41
UGT1A9 O60656 1/20 0.41
TRPA1 O75762 1/20 0.41
ABCB11 O95342 1/20 0.41
MT-CO2 P00403 1/20 0.41
TTR P02766 1/20 0.41
ALB P02768 1/20 0.41
UGT1A6 P19224 1/20 0.41
UGT1A1 P22309 1/20 0.41
PTGS1 P23219 1/20 0.41
CXCR1 P25024 1/20 0.41
ADRA1A P35348 1/20 0.41
AGTR2 P50052 1/20 0.41
NR1I3 Q14994 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
SCHEMBL2550680 0.98 PTGDR2 (0.56) PTGDR2AKR1B1NAAATDP1CXCL8
Hydrochloric Acid SCHEMBL11528572 0.97 PTGDR2 (0.55) PTGDR2AKR1B1NAAATDP1CXCL8
SCHEMBL7968570 0.93 AKR1B1 (0.53) PTGDR2AKR1B1TDP1CXCL8PTGS2
SCHEMBL3107649 0.86 PTGDR2 (0.50) PTGDR2NAAAPTGS2EPHX2SLC6A2
SCHEMBL1998542 0.85 PTGDR2 (0.47) PTGDR2AKR1B1NAAATDP1CXCL8
SCHEMBL31071979 0.85 AKR1B1 (0.46) PTGDR2AKR1B1TDP1CXCL8PTGS2
SCHEMBL12281735 0.85 SLC6A2 (0.57) AKR1B1SLC6A2SLC6A4SLC6A3
SCHEMBL21767593 0.85 AKR1B1 (0.46) PTGDR2AKR1B1TDP1CXCL8PTGS2
SCHEMBL3979460 0.84 PTGDR2 (0.45) PTGDR2NAAAEPHX2SLC6A2SLC6A4
SCHEMBL3983073 0.83 PTGDR2 (0.49) PTGDR2AKR1B1NAAATDP1CXCL8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948164-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2008-07-30 EP claimed
WO-2007045979-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-04-26 WO claimed
US-10974235-B2 Targeted, metal-catalyzed fluorination of complex compounds with fluoride ion via decarboxylation TRUSTEES OF PRINCETON UNIVERSITY (US) 2021-04-13 US disclosed
US-20200108380-A1 TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2020-04-09 US disclosed
US-10543481-B2 Targeted, metal-catalyzed fluorination of complex compounds with fluoride ion via decarboxylation TRUSTEES OF PRINCETON UNIVESITY (US) 2020-01-28 US disclosed
US-20180037526-A1 TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2018-02-08 US disclosed
EP-3102325-A1 MOISTURE CURABLE SILICONE COMPOSITION Momentive Performance Materials Inc. (US) 2016-12-14 EP disclosed
WO-2016130549-A1 TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2016-08-18 WO disclosed
US-20160158388-A1 TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2016-06-09 US disclosed
WO-2015119904-A1 MOISTURE CURABLE SILICONE COMPOSITION MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2015-08-13 WO disclosed
WO-2014210492-A1 MOISTURE CURABLE COMPOSITION WITH STRONTIUM MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2014-12-31 WO disclosed
EP-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 EP disclosed
US-5637601-A ANTIPERSPIRANT, MYDRIATIC, ANTISECRETORY AGENTS UNIVERSITY OF FLORIDA (US) 1997-06-10 US disclosed
US-5618826-A Anticholinergic compounds, compositions and methods of treatment UNIVERSITY OF FLORIDA (US) 1997-04-08 US disclosed
EP-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 EP disclosed
US-5418244-A Antiperspirants, mydriatic UNIVERSITY OF FLORIDA (US) 1995-05-23 US disclosed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 WO disclosed
US-5223528-A Antisecretory agents, mydriatics, antiperspirants UNIVERSITY OF FLORIDA (US) 1993-06-29 US disclosed
US-5034429-A An unsaturated monomer, a photoinitiator and a benzene derivative for providing a cured film HITACHI CHEMICAL CO., LTD. (JP) 1991-07-23 US disclosed
EP-0143978-B1 PROCESS FOR MAKING LOW CRYSTALLINITY POLYOLEFINS HERCULES INCORPORATED (US) 1988-03-16 EP 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 (5 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-20160158388-A1 TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION AFF2, CLTC, AFF4 PTGDR2 4202/4885AKR1B1 3587/4885NAAA 352/4885
US-10543481-B2 Targeted, metal-catalyzed fluorination of complex compounds with fluoride ion via decarboxylation AFF2, CLTC, AFF4 PTGDR2 4202/4885AKR1B1 3587/4885NAAA 352/4885
US-20180037526-A1 TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION AFF2, CLTC, AFF4 PTGDR2 4202/4885AKR1B1 3587/4885NAAA 352/4885
US-10974235-B2 Targeted, metal-catalyzed fluorination of complex compounds with fluoride ion via decarboxylation AFF2, CLTC, AFF4 PTGDR2 4202/4885AKR1B1 3587/4885NAAA 352/4885
US-20200108380-A1 TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION AFF2, CLTC, AFF4 PTGDR2 4202/4885AKR1B1 3587/4885NAAA 352/4885

“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.