SCHEMBL677008

SCHEMBL677008

CC(C)c1[c]ccc(C(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
TRPA1 O75762 1/20 0.35
PTGS1 P23219 1/20 0.35
CACNA1C Q13936 1/20 0.35
ALDH1A1 P00352 2/20 0.34
ALOX12 P18054 2/20 0.34
HTT P42858 2/20 0.34
GAA P10253 1/20 0.34
HIF1A Q16665 1/20 0.34
TYR P14679 2/20 0.32
HDAC4 P56524 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
RNASEH1 O60930 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MDM4 O15151 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL28021964 0.98 LMNA (0.35) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL10406453 0.80 SLC6A2 (0.36) LMNATRPA1HIF1AHDAC8KDM4E
SCHEMBL15067062 0.78 LMNA (0.38) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL11442367 0.77 ESR1 (0.34)
SCHEMBL2444018 0.76 LMNA (0.41) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL1776424 0.76 TRPA1 (0.35) LMNATRPA1TDP1
SCHEMBL16736879 0.74 PTGS1 (0.43) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL1031444 0.74 LMNA (0.35) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL10612043 0.74 ESR1 (0.31) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL491461 0.74 LMNA (0.35) LMNATRPA1PTGS1CACNA1CALDH1A1

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 761 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-117983305-A Catalyst containing aromatic heterocycle-aliphatic ligand for ethylene selective tetramerization and preparation method and application thereof 华东理工大学 2024-05-07 CN claimed
CN-117983301-A PNNP-aliphatic ligand-containing ethylene selective tetramerization catalyst and preparation method and application thereof 华东理工大学 2024-05-07 CN claimed
CN-117983299-A PNNP-F ligand-containing catalyst for ethylene selective tetramerization and preparation method and application thereof 华东理工大学 2024-05-07 CN claimed
CN-117983306-A Catalyst containing PCCP ligand for ethylene selective tetramerization and preparation method and application thereof 华东理工大学 2024-05-07 CN claimed
CN-117983300-A Catalyst containing N-triptycene ligand for ethylene selective tetramerization and preparation method and application thereof 华东理工大学 2024-05-07 CN claimed
CN-117983302-A Catalyst containing ferrocene PNP ligand for ethylene selective tetramerization and preparation method and application thereof 华东理工大学 2024-05-07 CN claimed
CN-117983304-A Catalyst containing tetraphosphine ligand for ethylene selective tetramerization and preparation method and application thereof 华东理工大学 2024-05-07 CN claimed
CN-112742483-B Catalyst system for ethylene selective oligomerization and preparation and application thereof 华东理工大学 2024-04-02 CN claimed
EP-1062250-A1 POLYMERISATION CATALYSTS BP Chemicals Limited (GB) 2000-12-27 EP claimed
WO-2000069869-A1 POLYMERISATION CATALYSTS BP CHEMICALS LIMITED (GB) 2000-11-23 WO claimed
WO-2000058320-A1 PYRIDINE.IMINE POLYMERISATION CATALYSTS BP CHEMICALS LIMITED (GB) 2000-10-05 WO claimed
WO-2000047586-A1 METAL COMPLEXES USEFUL AS POLYMERIZATION CATALYST BP CHEMICALS LIMITED (GB) 2000-08-17 WO claimed
EP-1015501-A1 POLYMERISATION CATALYSTS BP Chemicals Limited (GB) 2000-07-05 EP claimed
WO-2000008034-A1 PREPARATION OF POLYMERISATION CATALYSTS BP CHEMICALS LIMITED (GB) 2000-02-17 WO claimed
WO-1999046303-A1 POLYMERISATION CATALYSTS BP CHEMICALS LIMITED (GB) 1999-09-16 WO claimed
WO-1999012981-A1 POLYMERISATION CATALYSTS BP CHEMICALS LIMITED (GB) 1999-03-18 WO claimed
US-5154912-A Nonradioactive labeled compounds for use in the medicine and biological fields ATOCHEM (FR) 1992-10-13 US claimed
US-4845223-A FLUORESCENT PERYLENE DYES BASF AKTIENGESELLSCHAFT (DE) 1989-07-04 US 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 LMNA 38/4885TRPA1 3798/4885PTGS1 4036/4885

“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.