SCHEMBL5865435

SCHEMBL5865435

[2H]c1c2c(cc(CCCCCC)c1C(=O)OC(C)(C)C)CCC2

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.32
S1PR3 Q99500 3/20 0.32
S1PR4 O95977 1/20 0.32
S1PR5 Q9H228 1/20 0.32
RXRA P19793 2/20 0.32
NR1H2 P55055 2/20 0.32
NR1H3 Q13133 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NOD2 Q9HC29 1/20 0.32
ALOX5 P09917 1/20 0.32
TSHR P16473 1/20 0.32
PPARG P37231 2/20 0.31
PPARA Q07869 2/20 0.31
ACHE P22303 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL5865473 0.90 TSHR (0.36) S1PR1S1PR3S1PR4S1PR5RXRA
SCHEMBL5865070 0.75 PPARA (0.43) RXRANR1H2NR1H3PPARGPPARA
SCHEMBL5865500 0.73 PPARA (0.51) RXRANR1H2NR1H3PPARGPPARA
SCHEMBL5865418 0.72 PPARA (0.36) RXRANR1H2NR1H3KDM4ENOD2
SCHEMBL4627209 0.71 THRA (0.39) RXRANR1H2NR1H3KDM4ENOD2
SCHEMBL4627297 0.71 ALOX5 (0.36) RXRANR1H2NR1H3KDM4ENOD2
SCHEMBL5865449 0.70 PPARA (0.38) RXRANR1H2NR1H3KDM4ENOD2
SCHEMBL4627318 0.67 PPARA (0.54) RXRANR1H2NR1H3KDM4EPPARG
SCHEMBL6030472 0.67 ALOX15 (0.49) KDM4EPPARGPPARAMEN1ALDH1A1
SCHEMBL6030579 0.67 ALOX15 (0.49) KDM4EPPARGPPARAMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7125999-B2 Process for producing organotitanium compound and process for addition reaction NISSAN CHEMICAL INDUSTIES, LTD. (JP) 2006-10-24 US disclosed
US-20040167344-A1 Process for producing organotitanium compound and process for addition reaction FUMIE SATO 2004-08-26 US disclosed
US-6743916-B2 REACTING AN ACETYLENE COMPOUND IN THE PRESENCE OF A TITANIUM COMPOUND AND GRIGNARD REAGENT TO OBTAIN ORGANOTITANIUM COMPOUND Sato, Fumie (JP) 2004-06-01 US disclosed
US-20030096996-A1 Process for producing organotitanium compound and process for addition reaction NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-05-22 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-20040167344-A1 Process for producing organotitanium compound and process for addition reaction ZYX, H1-4, GRIA4 S1PR1 4028/4885S1PR3 4249/4885S1PR4 3224/4885
US-20030096996-A1 Process for producing organotitanium compound and process for addition reaction ZYX, H1-4, GRIA4 S1PR1 4028/4885S1PR3 4249/4885S1PR4 3224/4885

“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.