SCHEMBL4380164

SCHEMBL4380164

COc1ccc2cc(C(C)C(=O)O)ccc2c1Br

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 16/20 0.58
AKR1C2 P52895 16/20 0.58
PTGS2 P35354 3/20 0.58
PTGS1 P23219 2/20 0.58
CDC42 P60953 1/20 0.58
RAC1 P63000 1/20 0.58
CYP1A2 P05177 1/20 0.58
TSHR P16473 1/20 0.58
SLC22A6 Q4U2R8 1/20 0.58
AKR1B1 P15121 1/20 0.53
LMNA P02545 1/20 0.45
RXFP1 Q9HBX9 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
SCHEMBL4380166 1.00 AKR1C3 (0.58) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL9116873 1.00 AKR1C3 (0.58) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL9239300 0.88 RXFP1 (0.47) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL7772358 0.88 PTGS2 (0.45) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL9243634 0.88 RXFP1 (0.44) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL10537008 0.88 RXFP1 (0.47) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL9868774 0.85 AKR1C3 (0.43) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL9868769 0.85 AKR1C3 (0.43) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL9868760 0.85 AKR1C3 (0.43) AKR1C3AKR1C2PTGS2PTGS1CDC42
Methoxymethane SCHEMBL10539889 0.84 AKR1C3 (0.42) AKR1C3AKR1C2PTGS2PTGS1CDC42

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1532098-A1 PROCESS FOR PREPARING NITROOXYDERIVATIVES OF NAPROXEN Nicox S.A. (FR) 2005-05-25 EP claimed
WO-2004020384-A1 PROCESS FOR PREPARING NITROOXYDERIVATIVES OF NAPROXEN NICOX S.A. (FR) 2004-03-11 WO claimed
EP-0182279-B1 PROCESS FOR THE OPTICAL RESOLUTION OF RACEMIC MIXTURES OF ALPHA-NAPHTYL-PROPIONIC ACIDS ALFA WASSERMANN S.p.A. (IT) 1990-02-28 EP claimed
EP-0182279-A1 Process for the optical resolution of racemic mixtures of alpha-naphtyl-propionic acids ALFA WASSERMANN S.p.A. (IT) 1986-05-28 EP claimed
US-4423244-A Process for the preparation of the d-2-(6-methoxy-2-naphthyl)-propionic acid ALFA CHEMICALS ITALIANA S.P.A. (IT) 1983-12-27 US claimed
CN-111978204-A Preparation method of naproxen intermediate 湖南大学 2020-11-24 CN disclosed
EP-1532098-B1 PROCESS FOR PREPARING NITROOXYDERIVATIVES OF NAPROXEN NICOX SA (FR) 2009-11-18 EP disclosed
US-7199258-B2 Process for preparing nitrooxyderivatives of naproxen NICOX S.A. (FR) 2007-04-03 US disclosed
US-20060173005-A1 Process for preparing nitrooxyderivative of naproxen NICOX S.A. (FR) 2006-08-03 US disclosed
EP-1532098-A1 PROCESS FOR PREPARING NITROOXYDERIVATIVES OF NAPROXEN Nicox S.A. (FR) 2005-05-25 EP disclosed
WO-2004020384-A1 PROCESS FOR PREPARING NITROOXYDERIVATIVES OF NAPROXEN NICOX S.A. (FR) 2004-03-11 WO disclosed
EP-0440930-B2 Process for the debromination of 2-substituted-5-bromo-6-methoxynaphthalenes ALFA CHEM ITAL (IT) 2001-09-12 EP disclosed
EP-0035305-A2 Process for preparing esters of 2-(6'-methoxy-2'-naphtyl)-propionic acid via rearrangement of new ketals of 2-halo-1-(6'-methoxy-2'-naphtyl)-propan-1-one BLASCHIM S.p.A. (IT) 1981-09-09 EP disclosed
EP-0034871-A2 Process for preparing esters of alkanoic acids via rearrangement of alpha-haloketals BLASCHIM S.p.A. (IT) 1981-09-02 EP disclosed
US-4045485-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC AND ANTIPRURITIC ACTIVITY SYNTEX CORPORATION (US) 1977-08-30 US disclosed
US-3994968-A 2-(5'-Halo-6'-methoxynaphth-2'-yl)-acrylic acid SYNTEX CORPORATION (PM) 1976-11-30 US disclosed
US-3960957-A 2-(6'-methoxynaphth-2'yl) propionaldoxime and 5'-halo derivatives thereof SYNTEX CORPORATION (PM) 1976-06-01 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 (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-20060173005-A1 Process for preparing nitrooxyderivative of naproxen CYP2A13, POR, CYP3A43 AKR1C3 409/4885AKR1C2 970/4885PTGS2 63/4885

“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.