SCHEMBL6627249

SCHEMBL6627249

COC(=O)C1(CCCCBr)CCC1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.65
CYP4A11 Q02928 1/20 0.65
NPSR1 Q6W5P4 1/20 0.35
CETP P11597 3/20 0.31
TSHR P16473 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
SCHEMBL6582129 0.96 CYP4F2 (0.70) CYP4F2CYP4A11NPSR1CETPTSHR
SCHEMBL20597647 0.95 CYP4F2 (0.73) CYP4F2CYP4A11NPSR1CETP
SCHEMBL6628282 0.91 CYP4F2 (0.67) CYP4F2CYP4A11NPSR1CETPTSHR
SCHEMBL11476639 0.84 CYP4F2 (0.90) CYP4F2CYP4A11NPSR1CETP
SCHEMBL6627868 0.83 CYP4F2 (0.61) CYP4F2CYP4A11NPSR1
SCHEMBL1106769 0.83 CYP4F2 (0.45) CYP4F2CYP4A11
SCHEMBL11474888 0.82 CYP4F2 (0.65) CYP4F2CYP4A11NPSR1CETP
SCHEMBL28840765 0.81 CYP4F2 (0.59) CYP4F2CYP4A11NPSR1CETPTSHR
SCHEMBL4944314 0.81 CYP4F2 (0.64) CYP4F2CYP4A11NPSR1CETP
SCHEMBL23971376 0.80 CYP4F2 (0.48) CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040210051-A1 N-alkanoylphenylalanine derivatives CHEN LI (US) 2004-10-21 US disclosed
US-6806365-B2 ACTIVITY AS INHIBITORS OF BINDING BETWEEN VCAM-1 AND CELLS EXPRESSING VLA-4. SUCH COMPOUNDS ARE USEFUL FOR TREATING DISEASES WHOSE SYMPTOMS AND/OR DAMAGE ARE RELATED TO THE BINDING OF VCAM-1 TO CELLS EXPRESSING VLA-4. HOFFMANN-LA ROCHER INC. 2004-10-19 US disclosed
EP-1005446-B1 N-AROYLPHENYLALANINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-02-25 EP disclosed
US-20030109459-A1 N-alkanoylphenylalamine derivatives CHEN LI (US) 2003-06-12 US disclosed
US-6455550-B1 INHIBITORS OF BINDING BETWEEN VASCULAR CELL ADHESION MOLECULES AND CELLS EXPRESSING VLA-4 INTEGRIN; ANTIINFLAMMATORY AGENTS HOFFMANN-LA ROCHE INC. 2002-09-24 US disclosed
CN-1276785-A N-aroylphenylalanine derivs. HOFFMANNN LA ROCHE AG F (CH) 2000-12-13 CN disclosed
EP-1005446-A1 N-AROYLPHENYLALANINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-07 EP disclosed
WO-1999010313-A1 N-AROYLPHENYLALANINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 1999-03-04 WO disclosed
US-4208428-A ANTIFERTILITY, OXYTOCIC ONO PHARMACEUTICAL CO. LTD. (JP) 1980-06-17 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-20030109459-A1 N-alkanoylphenylalamine derivatives VCAM1, ICAM1, SELL CYP4F2 2193/4885CYP4A11 1183/4885NPSR1 1942/4885
US-20040210051-A1 N-alkanoylphenylalanine derivatives VCAM1, ICAM1, CD59 CYP4F2 1986/4885CYP4A11 1935/4885NPSR1 1526/4885

“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.