SCHEMBL3822162

SCHEMBL3822162

O=C(CC1CCCCC1)Nc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 1.00
NPC1 O15118 4/20 0.71
RAB9A P51151 3/20 0.71
KMT2A Q03164 2/20 0.71
TDP1 Q9NUW8 1/20 0.64
TSHR P16473 1/20 0.63
NAMPT P43490 1/20 0.63
EPHX1 P07099 1/20 0.62
HPGD P15428 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
KLK7 P49862 1/20 0.57
IDO1 P14902 1/20 0.57

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
SCHEMBL4866294 0.98 EPHX2 (0.97) EPHX2NPC1RAB9AKMT2ATDP1
SCHEMBL26154069 0.95 EPHX2 (0.90) EPHX2NPC1RAB9AKMT2ATDP1
SCHEMBL11208728 0.91 EPHX2 (0.83) EPHX2NPC1RAB9AKMT2ATDP1
SCHEMBL5647839 0.85 EPHX2 (0.73) EPHX2NPC1RAB9AKMT2ATDP1
SCHEMBL11520494 0.85 RAB9A (0.97) EPHX2NPC1RAB9AKMT2ATDP1
SCHEMBL1950761 0.84 EPHX2 (0.72) EPHX2NPC1RAB9AKMT2ATDP1
SCHEMBL23680252 0.83 RAB9A (0.71) EPHX2NPC1RAB9AKMT2ATDP1
SCHEMBL3453739 0.83 EPHX2 (0.71) EPHX2NPC1RAB9AKMT2ATDP1
SCHEMBL20852858 0.83 RAB9A (0.71) EPHX2NPC1RAB9AKMT2ATDP1
SCHEMBL22808948 0.83 RAB9A (0.71) EPHX2NPC1RAB9AKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115556446-A Decorative film and method for producing decorative molded body using same 日本聚丙烯株式会社 2023-01-03 CN disclosed
CN-115556441-A Decorative film and method for producing decorative molded body using same 日本聚丙烯株式会社 2023-01-03 CN disclosed
CN-108601846-B Mucoadhesive pharmaceutical composition and process for preparing same 三养控股公司 2021-12-10 CN disclosed
CN-111386185-A Decorative film and method for producing decorative molded body using same 日本聚丙烯株式会社 2020-07-07 CN disclosed
US-8476043-B2 Inhibitors for the soluble epoxide hydrolase THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-07-02 US disclosed
US-8476043-B2 Inhibitors for the soluble epoxide hydrolase THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-07-02 US disclosed
EP-1345908-B1 PROCESS FOR THE PREPARATION OF ALPHA-AMINOSUBSTITUTED CARBOXYLIC ACID AMIDES MERCK PATENT GMBH (DE) 2011-07-27 EP disclosed
US-20110021448-A1 Inhibitors for the Soluble Epoxide Hydrolase THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-27 US disclosed
US-20110021448-A1 Inhibitors for the Soluble Epoxide Hydrolase THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-27 US disclosed
EP-2256104-A1 Process for the preparation of alpha-aminosubstituted carboxylic acid amides Merck Patent GmbH (DE) 2010-12-01 EP disclosed
CN-1729157-A Substituted amino phenylacetic acids, derivatives thereof, their preparation and their use as cyclooxygenase 2 (COX-2) inhibitors NOVARTIS AG (CH) 2006-02-01 CN disclosed
EP-1567477-A1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS Novartis AG (CH) 2005-08-31 EP disclosed
US-20040132769-A1 Certain phenylacetic acids and derivatives NOVARTIS AG (CH) 2004-07-08 US disclosed
WO-2004048314-A1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS NOVARTIS AG (CH) 2004-06-10 WO disclosed
EP-1377283-A2 COMPOUNDS OF THE FORMULA R1-X-Y-Z-NR2R3 AS ABCA-1 ELEVATING AGENTS AGAINST CORONARY ARTERY DISEASE OR ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2004-01-07 EP disclosed
WO-2002046141-A2 COUMPOUNDS OF THE FORMULA R1-X-Y-Z-NR2R3 AS ABCA-1 ELEVATING AGENTS AGAINST CORONARY ARTERY DISEASE OR ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2002-06-13 WO disclosed
US-5037826-A Antiallergy, antiulcer, antiinflammatory, skin disorders, immune suppressants SCHERING CORPORATION (US) 1991-08-06 US disclosed
EP-0267691-A2 Use of 1-substituted naphthyridine and pyridopyrazine derivatives for the preparation of medicaments with immunosuppressor activity. SCHERING CORPORATION (US) 1988-05-18 EP disclosed
US-4011180-A NOVEL COCATALYST SYSTEM FOR TRIMERIZING POLYISOCYANATES THE UPJOHN COMPANY (US) 1977-03-08 US disclosed
US-4003859-A CATALYST OF AN AMINE, AMIDE SALT AND DIBUTYL TIN(ALKANOATE) THE UPJOHN COMPANY (US) 1977-01-18 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 (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-20040132769-A1 Certain phenylacetic acids and derivatives CYP2A6, HCAR2, CYP2B6 EPHX2 377/4885NPC1 890/4885RAB9A 4169/4885
US-20110021448-A1 Inhibitors for the Soluble Epoxide Hydrolase EPHX1, EPHX2, NCEH1 EPHX2 2/4885NPC1 778/4885RAB9A 3525/4885

“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.