SCHEMBL3720728

SCHEMBL3720728

COc1ccc2cc(CC=O)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.59
AKR1C3 P42330 1/20 0.59
AKR1C2 P52895 1/20 0.59
CYP1A2 P05177 3/20 0.56
KDM4E B2RXH2 2/20 0.56
TP53 P04637 2/20 0.56
CYP3A4 P08684 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 1/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
MAOA P21397 1/20 0.56
SLC6A2 P23975 1/20 0.56
RAB9A P51151 1/20 0.56
SLC6A3 Q01959 1/20 0.56
PTGS2 P35354 1/20 0.56
SLC2A1 P11166 1/20 0.53
RAD52 P43351 1/20 0.51
PAX8 Q06710 1/20 0.51
CYP2A6 P11509 2/20 0.50

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
SCHEMBL11746659 0.96 PTGS1 (0.56) PTGS1AKR1C3AKR1C2CYP1A2KDM4E
SCHEMBL616311 0.84 CYP1A2 (0.59) PTGS1AKR1C3AKR1C2CYP1A2KDM4E
SCHEMBL616083 0.83 ALDH1A1 (0.69) PTGS1AKR1C3AKR1C2CYP1A2KDM4E
SCHEMBL11741327 0.82 PTGS1 (0.49) PTGS1AKR1C3AKR1C2CYP1A2KDM4E
SCHEMBL30594477 0.81 AKR1C3 (0.46) PTGS1AKR1C3AKR1C2CYP1A2KDM4E
SCHEMBL190915 0.81 ALDH1A1 (0.65) TP53CYP3A4SMN1; SMN2CYP2A6ALDH1A1
SCHEMBL27513322 0.80 PTGS1 (0.54) PTGS1AKR1C3AKR1C2CYP1A2KDM4E
SCHEMBL11741420 0.80 ALDH1A1 (0.42) PTGS1AKR1C3AKR1C2CYP1A2KDM4E
SCHEMBL8758020 0.79 PTGS2 (0.46) PTGS1AKR1C3AKR1C2CYP1A2KDM4E
SCHEMBL3807329 0.79 AKR1C3 (0.53) PTGS1AKR1C3AKR1C2CYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115960480-B Light response self-repairing material containing thymine derivative and application thereof 合肥工业大学 2023-09-12 CN claimed
CN-115960480-B Light response self-repairing material containing thymine derivative and application thereof 合肥工业大学 2023-09-12 CN disclosed
WO-2016114722-A1 ALPHA-CELL SELECTIVE PROBE FOR EX-VIVO TWO PHOTON IMAGING OF ALPHA CELLS IN INTACT PANCREATIC ISLETS NATIONAL UNIVERSITY OF SINGAPORE (SG) 2016-07-21 WO disclosed
US-20150183737-A1 COMPOSITIONS AND METHODS FOR SUBSTRATE-SELECTIVE INHIBITION OF ENDOCANNABINOID OXYGENATION NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-07-02 US disclosed
WO-2014015341-A2 COMPOSITIONS AND METHODS FOR SUBSTRATE-SELECTIVE INHIBITION OF ENDOCANNABINOID OXYGENATION VANDERBILT UNIVERSITY (US) 2014-01-23 WO disclosed
US-20110065634-A1 GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE MERCK SHARP & DOHME LLC 2011-03-17 US disclosed
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed
WO-2010009215-A1 NICOTINIC ACID RECEPTOR AGONIST COMPOUNDS USEFUL TO TREAT METABOLIC SYNDROMES SCHERING CORPORATION (US) 2010-01-21 WO disclosed
EP-1794138-A2 THIAZOLO-NAPHTHYL ACIDS AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 Wyeth (US) 2007-06-13 EP disclosed
EP-1781641-A1 PYRROLO-NAPHTHYL ACIDS AS PAI-1 INHIBITORS Wyeth (US) 2007-05-09 EP disclosed
WO-2005040337-A2 METHODS FOR BINDING AGENTS TO β-AMYLOID PLAQUES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-05-06 WO disclosed
EP-0221677-B1 P-AMINOPHENOLS, DERIVATIVES THEREOF AND USE FOR MANUFACTURE OF A MEDICAMENT E.R. Squibb & Sons, Inc. (US) 1992-09-09 EP disclosed
EP-0176142-B1 PROCESS FOR THE PREPARATION OF ARYL ALKYL KETONES Nobel Chemicals AB (SE) 1991-11-27 EP disclosed
US-4670603-A Process for the preparation of aryl alkyl ketones BLASCHIM S.P.A. (IT) 1987-06-02 US disclosed
EP-0221677-A2 p-Aminophenols, derivatives thereof and use for manufacture of a medicament E.R. Squibb & Sons, Inc. (US) 1987-05-13 EP disclosed
EP-0176142-A2 Process for the preparation of aryl alkyl ketones Nobel Chemicals AB (SE) 1986-04-02 EP disclosed
US-4045485-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC AND ANTIPRURITIC ACTIVITY SYNTEX CORPORATION (US) 1977-08-30 US disclosed
US-3960936-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, SKIN DISORDERS SYNTEX CORPORATION (PM) 1976-06-01 US disclosed
US-3947472-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (PM) 1976-03-30 US disclosed
US-3935273-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (US) 1976-01-27 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 (2 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-20150183737-A1 COMPOSITIONS AND METHODS FOR SUBSTRATE-SELECTIVE INHIBITION OF ENDOCANNABINOID OXYGENATION CNR2, FAAH2, FAAH PTGS1 24/4885AKR1C3 729/4885AKR1C2 821/4885
US-20110065634-A1 GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE GLP1R, GCGR, GIPR PTGS1 705/4885AKR1C3 223/4885AKR1C2 314/4885

“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.