SCHEMBL4623191

SCHEMBL4623191

CCC(C)OP(=O)(O)CCCCBr

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 1/20 0.33
TRPM8 Q7Z2W7 5/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
LPAR3 Q9UBY5 3/20 0.31
LPAR2 Q9HBW0 1/20 0.31
CETP P11597 3/20 0.31
SMPD1 P17405 3/20 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
Hydrochloric Acid SCHEMBL4879969 0.98 PLA2G2C (0.32) PLA2G2CTRPM8MMP1MMP2MMP3
SCHEMBL2834718 0.95 MMP1 (0.32) PLA2G2CTRPM8MMP1MMP2MMP3
SCHEMBL1039032 0.87 PPARD (0.32) MMP1MMP2MMP3
SCHEMBL16427895 0.84 LPAR3 (0.50) TRPM8LPAR3LPAR2CETPSMPD1
SCHEMBL11649168 0.84 LPAR3 (0.50) TRPM8LPAR3LPAR2CETPSMPD1
SCHEMBL14890431 0.84 LPAR3 (0.50) TRPM8LPAR3LPAR2CETPSMPD1
SCHEMBL17644499 0.84 PPARD (0.38) PLA2G2CTRPM8MMP1MMP2MMP3
SCHEMBL10799957 0.84 LPAR3 (0.50) TRPM8LPAR3LPAR2CETPSMPD1
SCHEMBL2150294 0.84 LPAR3 (0.50) TRPM8LPAR3LPAR2CETPSMPD1
SCHEMBL2184552 0.84 LPAR3 (0.50) TRPM8LPAR3LPAR2CETPSMPD1

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
CN-117567513-A Self-assembled monolayer hole transport material containing bisphosphonic acid terminal group, preparation method and application 南开大学 2024-02-20 CN disclosed
EP-1904479-A2 NOVEL 2,4-DIANILINOPYRIMIDINE DERIVATIVES, THE PREPARATION THEREOF, THEIR USE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, AS IKK INHIBITORS Sanofi-Aventis (FR) 2008-04-02 EP disclosed
WO-2007006926-A2 NOVEL 2,4-DIANILINOPYRIMIDINE DERIVATIVES, THE PREPARATION THEREOF, THEIR USE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2007-01-18 WO disclosed
US-20050026873-A1 Type-I methionyl aminopeptidases inhibitors in antibacterial targeting UTAH STATE UNIVERSITY 2005-02-03 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-20050026873-A1 Type-I methionyl aminopeptidases inhibitors in antibacterial targeting METAP1, METAP2, DNPEP PLA2G2C 944/4885TRPM8 1650/4885MMP1 83/4885

“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.