SCHEMBL4663343

SCHEMBL4663343

CCCC[C]1C(C)=C(C)C(C)=C1C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.37
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.33
TYMP P19971 1/20 0.31
NOS2 P35228 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL6280468 0.80
SCHEMBL4633204 0.72 NPC1 (0.48) SKP2NPC1HPGDMAPK1HTT
SCHEMBL3226607 0.69 ALDH1A1 (0.34) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL6053940 0.69 TSHR (0.35) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL6286937 0.65 ACHE (0.34) SKP2NPC1HPGDMAPK1HTT
SCHEMBL28158365 0.65 HTT (0.42) SKP2NPC1HPGDMAPK1HTT
SCHEMBL11682168 0.65 TYR (0.50) SKP2NPC1HPGDMAPK1HTT
SCHEMBL15234704 0.65 HTT (0.42) SKP2NPC1HPGDMAPK1HTT
SCHEMBL5679424 0.62 TSHR (0.50) NPC1HPGDMAPK1HTTRAB9A
Hexane SCHEMBL8705498 0.57 TSHR (0.88) TSHRLMNATHRB

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013177284-A1 HAFNIUM-CONTAINING PRECURSORS FOR VAPOR DEPOSITION L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2013-11-28 WO claimed
WO-2013177292-A1 TITANIUM-CONTAINING PRECURSORS FOR VAPOR DEPOSITION L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2013-11-28 WO claimed
US-7056994-B2 Catalyst composition RIKEN (JP) 2006-06-06 US claimed
WO-2013177269-A2 ZIRCONIUM-CONTAINING PRECURSORS FOR VAPOR DEPOSITION L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2013-11-28 WO disclosed
WO-2013177284-A1 HAFNIUM-CONTAINING PRECURSORS FOR VAPOR DEPOSITION L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2013-11-28 WO disclosed
WO-2013177292-A1 TITANIUM-CONTAINING PRECURSORS FOR VAPOR DEPOSITION L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2013-11-28 WO disclosed
US-20080281139-A1 Catalyst for Propylene Dimerization and Dimerization Method MITSUI CHEMICALS, INC. (JP) 2008-11-13 US disclosed
EP-1872853-A1 CATALYST FOR PROPYLENE DIMERIZATION AND DIMERIZATION METHOD Mitsui Chemicals, Inc. (JP) 2008-01-02 EP disclosed
US-7056994-B2 Catalyst composition RIKEN (JP) 2006-06-06 US disclosed
US-20060058179-A1 Catalyst composition RIKEN (JP) 2006-03-16 US disclosed
EP-1629018-A1 CLASS OF METALLOCENES AND METHOD OF PRODUCING POLYETHYLENE Univation Technologies LLC (US) 2006-03-01 EP disclosed
US-20050170951-A1 Catalyst composition RIKEN (JP) 2005-08-04 US disclosed
US-6911508-B2 Class of metallocenes and method of producing polyethylene UNIVATION TECHNOLOGIES, LLC (US) 2005-06-28 US disclosed
EP-1541593-A1 CATALYST COMPOSITION RIKEN (JP) 2005-06-15 EP disclosed
EP-1500667-A1 CATALYST COMPOSITION Riken (JP) 2005-01-26 EP disclosed
WO-2004108771-A1 CLASS OF METALLOCENES AND METHOD OF PRODUCING POLYETHYLENE UNIVATION TECHNOLOGIES, LLC (US) 2004-12-16 WO disclosed
US-20040249096-A1 Class of metallocenes and method of producing polyethylene EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-09 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-20080281139-A1 Catalyst for Propylene Dimerization and Dimerization Method PPOX, PUM2, MBD2 SKP2 267/4885NPC1 4567/4885HPGD 2561/4885

“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.