SCHEMBL311359

SCHEMBL311359

CCc1[c]ccc(CC)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37
TP53 P04637 1/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NOTUM Q6P988 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
KIF11 P52732 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL28321620 0.92 TRPA1 (0.33) TRPA1CYP1A2CYP2A6TP53NOS3
SCHEMBL3667864 0.85 CNR1 (0.39)
SCHEMBL3613895 0.85 LOXL2 (0.36) NOS3NOS1NOS2ALDH1A1SMN1; SMN2
SCHEMBL5642672 0.85 TAAR1 (0.35) TRPA1CYP1A2CYP2A6TP53NOS3
SCHEMBL1776797 0.85 TRPA1 (0.34) TRPA1CYP1A2CYP2A6TP53NOS3
SCHEMBL1778312 0.81 TRPA1 (0.32) TRPA1CYP1A2CYP2A6NPC1ALDH1A1
SCHEMBL11030323 0.81 SKP2 (0.42) CYP1A2TP53NPC1ALDH1A1LMNA
SCHEMBL1779587 0.81 SKP2 (0.34) TRPA1CYP1A2CYP2A6NPC1ALDH1A1
SCHEMBL8089580 0.80 TP53 (0.46) CYP1A2CYP2A6TP53NPC1ALDH1A1
SCHEMBL7460513 0.80 CALM1 (0.44) CYP1A2TP53LMNAMAPT

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 1422 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118307593-A Tri-dentate phosphinopyrrolimine ligand, preparation method thereof, ethylene oligomerization catalyst and application thereof 万华化学集团股份有限公司 2024-07-09 CN claimed
US-20240216900-A1 SABRE CATALYSTS CONTAINING FLUORINATED CARBON CHAINS FOR DELIVERY OF METAL-FREE MRI CONTRAST AGENTS THE U.S.A., AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2024-07-04 US claimed
CN-114933613-B Preparation of PNNP ligand, ethylene oligomerization catalyst and application thereof 万华化学集团股份有限公司 2024-02-27 CN claimed
CN-117551134-A Complex and preparation method and application thereof 南京佳诺霖光电科技有限公司 2024-02-13 CN claimed
CN-115746152-B Thallium ion adsorbent and preparation method thereof 宁波大学 2024-02-06 CN claimed
WO-2024022413-A1 DIVALENT METAL COMPLEX, PREPARATION METHOD THEREFOR AND USE THEREOF, AND ORGANIC OPTOELECTRONIC DEVICE 中国石油化工股份有限公司 2024-02-01 WO claimed
CN-117466944-A Divalent metal complex, preparation method and application thereof, and organic photoelectric device 中国石油化工股份有限公司 2024-01-30 CN claimed
CN-117466940-A Cyperus rotundus L ligand and application thereof in preparation of chiral beta-butyrolactone 万华化学集团股份有限公司 2024-01-30 CN claimed
US-11834542-B2 Single component mass polymerizable compositions containing polycycloolefin monomers and organoruthenium carbide precatalyst PROMERUS, LLC (US) 2023-12-05 US claimed
CN-116970107-A Catalyst combination and method for preparing poly alpha-olefin synthetic oil by using same 万华化学集团股份有限公司 2023-10-31 CN claimed
EP-1366116-A2 POLYPROPYLENE RESIN COMPOSITIONS Ciba SC Holding AG (CH) 2003-12-03 EP claimed
CN-1403424-A Cobalt catalyst composition for ethylene oligomerization and preparation method of alpha-olefin CHINA NAT PETROLEUM CORP (CN) 2003-03-19 CN claimed
CN-1374281-A Iron-based catalyst composition for ethylene oligomerization and preparation method of alpha-olefin CHINA PETROLEUM CORP (CN) 2002-10-16 CN claimed
WO-2002046300-A2 POLYPROPYLENE RESIN COMPOSITIONS CIBA SPECIALITY CHEMICALS HOLDING INC. (CH) 2002-06-13 WO claimed
WO-1999019335-A1 NOVEL POLYMERISATION CATALYSTS BP CHEMICALS LIMITED (GB) 1999-04-22 WO claimed
EP-0366329-B1 Halogeno-4-methylpyrazoles and process for preparing the same NISSAN CHEMICAL IND LTD (JP) 1996-03-20 EP claimed
EP-0366328-B1 PROCESS FOR PREPARING 4-METHYLPYRAZOLES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1993-05-19 EP claimed
US-5010099-A Immunomodulation; antitumor agents HARBOR BRANCH OCEANOGRAPHIC INSTITUTION, INC. (US) 1991-04-23 US claimed
US-4939168-A Discodermolide compounds, compositions containing same and methods of preparation and use HARBOR BRANCH OCEANOGRAPHICS INSTITUTION, INC. (US) 1990-07-03 US claimed
EP-0318916-A2 Electrophotographic sensitive material MITA INDUSTRIAL CO. LTD. (JP) 1989-06-07 EP claimed

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-20240216900-A1 SABRE CATALYSTS CONTAINING FLUORINATED CARBON CHAINS FOR DELIVERY OF METAL-FREE MRI CONTRAST AGENTS FABP7, FFAR1, FABP1 TRPA1 3798/4885CYP1A2 4103/4885CYP2A6 3645/4885

“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.