SCHEMBL1448732

SCHEMBL1448732

COC(=O)Cc1ccc2cc(OC)ccc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.73
AKR1C3 P42330 1/20 0.73
AKR1C2 P52895 1/20 0.73
CYP11B1 P15538 1/20 0.62
CYP11B2 P19099 1/20 0.62
KDM4E B2RXH2 2/20 0.59
NPC1 O15118 1/20 0.59
LMNA P02545 1/20 0.59
TP53 P04637 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
MAPT P10636 1/20 0.59
MAOA P21397 1/20 0.59
SLC6A2 P23975 1/20 0.59
RAB9A P51151 1/20 0.59
SLC6A3 Q01959 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
ALDH1A1 P00352 2/20 0.53
GAA P10253 1/20 0.53
GFER P55789 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
Methane SCHEMBL9087821 0.98 PTGS1 (0.71) PTGS1AKR1C3AKR1C2CYP11B1CYP11B2
SCHEMBL11460900 0.97 PTGS1 (0.69) PTGS1AKR1C3AKR1C2CYP11B1CYP11B2
SCHEMBL21620954 0.91 ALDH1A1 (0.61) PTGS1AKR1C3AKR1C2CYP11B1CYP11B2
SCHEMBL9365365 0.89 PTGS1 (0.67) PTGS1AKR1C3AKR1C2CYP11B1CYP11B2
SCHEMBL9584950 0.85 AKR1C3 (0.54) PTGS1AKR1C3AKR1C2CYP11B1CYP11B2
SCHEMBL9503975 0.85 PTGS1 (0.54) PTGS1AKR1C3AKR1C2CYP11B1CYP11B2
SCHEMBL25968365 0.85 PTGS1 (0.67) PTGS1AKR1C3AKR1C2CYP11B1CYP11B2
SCHEMBL1403568 0.85 PTGS1 (0.67) PTGS1AKR1C3AKR1C2CYP11B1CYP11B2
SCHEMBL6885747 0.85 PTGS1 (0.61) PTGS1AKR1C3AKR1C2CYP11B1CYP11B2
SCHEMBL2662328 0.84 MEN1 (0.57) PTGS1AKR1C3AKR1C2NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0007116-A1 Method for resolving racemic 6-methoxy-alpha-methyl-2-naphthalene acetic acid into its enantiomers and resolving medium SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1980-01-23 EP claimed
EP-3573960-B1 N-{[2-(PIPERIDIN-1-YL)PHENYL](PHENYL)METHYL}-2-(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-7-YL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ROR-GAMMA MODULATORS FOR TREATING AUTOIMMUNE DISEASES GENFIT (FR) 2023-08-16 EP disclosed
WO-2023010200-A1 THERAPEUTIC COORDINATION POLYMERS CONTAINING PHARMACEUTICALS FOR DRUG RELEASE APPLICATIONS UNIVERSITY OF WINDSOR (CA) 2023-02-09 WO disclosed
CN-113308704-B Electrooxidation preparation method of naproxen intermediate 湖南大学 2022-04-08 CN disclosed
CN-113308704-A Electrooxidation preparation method of naproxen intermediate 湖南大学 2021-08-27 CN disclosed
US-11052092-B2 N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating autoimmune diseases GENFIT (FR) 2021-07-06 US disclosed
WO-2018138362-A1 N-{[2-(PIPERIDIN-1-YL)PHENYL](PHENYL)METHYL}-2-(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXA ZIN-7-YL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ROR-GAMMA MODULATORS FOR TREATING AUTOIMMUNE DISEASES GENFIT (FR) 2018-08-02 WO disclosed
WO-2018013540-A1 DIRECT C-H AMINATION AND AZA-ANNULATION THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-01-18 WO disclosed
EP-2799422-A1 METHOD FOR PRODUCING CARBOXYLIC ACID AND ALCOHOL BY HYDROLYSIS OF ESTER National University Corporation Nagoya University (JP) 2014-11-05 EP disclosed
US-8778298-B2 Isotope labeled 2-arylpropionic acid compounds and process for production of same, and molecular probe for positron emission tomography and method for imaging of cyclooxygenase and the like using same RIKEN (JP) 2014-07-15 US disclosed
US-4097674-A ANTIINFLAMMATORY, ANTIPYRETIC, ANTIPRURITIC AGENTS, ANALGESICS SYNTEX CORPORATION (US) 1978-06-27 US disclosed
US-4051233-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (US) 1977-09-27 US disclosed
US-4048330-A Compositions containing 2-(6'-substituted-2'-naphthyl)acetic acid esters used for treating inflammation, pain or pyrexia SYNTEX CORPORATION (US) 1977-09-13 US disclosed
US-4009197-A 2-(6-Substituted-2'-naphthyl) acetic acid derivatives and the salts and esters thereof SYNTEX CORPORATION (PM) 1977-02-22 US disclosed
US-4001301-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, ANTI-PRURITIC SYNTEX CORPORATION (PM) 1977-01-04 US disclosed
US-3998966-A Anti-inflammatory, analgesic, anti-pyretic and anti-pruritic 6-substituted 2-naphthyl acetic acid derivative-containing compositions and methods of use thereof SYNTEX CORPORATION (PM) 1976-12-21 US disclosed
US-3980699-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (PM) 1976-09-14 US disclosed
US-3978124-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 US disclosed
US-3978116-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 US disclosed
US-3958012-A ANTIINFLAMMATORY, ANALGESIC AND ANTIPYRETIC ACTIVITY SYNTEX CORPORATION (US) 1976-05-18 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-11052092-B2 N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating autoimmune diseases RORA, RORC, RORB PTGS1 115/4885AKR1C3 1213/4885AKR1C2 1045/4885

“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.