SCHEMBL6869749

SCHEMBL6869749

O=C(O)C(CCCCCCBr)Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 6/20 0.66
CYP1A2 P05177 1/20 0.61
CPA3 P15088 3/20 0.60
CPA1 P15085 5/20 0.57
CPB1 P15086 1/20 0.54
CPB2 Q96IY4 1/20 0.54
SLC1A3 P43003 1/20 0.50
SLC1A2 P43004 1/20 0.50
SLC1A1 P43005 1/20 0.50
TBXAS1 P24557 1/20 0.49

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
SCHEMBL2121039 0.98 FOLH1 (0.68) FOLH1CYP1A2CPA3CPA1CPB1
SCHEMBL8868174 0.87 FOLH1 (0.54) FOLH1CYP1A2CPA3CPA1
SCHEMBL1114629 0.86 CYP1A2 (0.70) FOLH1CYP1A2CPA3CPA1CPB1
SCHEMBL11664393 0.86 FOLH1 (0.79) FOLH1CYP1A2CPA3CPA1CPB1
SCHEMBL8868645 0.85 GRIK1 (0.51) FOLH1CYP1A2CPA1CPB2
SCHEMBL8867961 0.85 GRIK1 (0.51) FOLH1CYP1A2CPA1CPB2
SCHEMBL8867562 0.85 GRIK1 (0.51) FOLH1CYP1A2CPA1CPB2
SCHEMBL10521559 0.85 FOLH1 (0.68) FOLH1CYP1A2CPA3CPA1CPB1
SCHEMBL2455434 0.85 FOLH1 (0.68) FOLH1CYP1A2CPA3CPA1CPB1
SCHEMBL23234369 0.83 FOLH1 (0.66) FOLH1CYP1A2CPA3CPA1CPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1105399-B1 CARBOXYLATED PHOSPHATIDIC ACID ESTERS BRACCO RESEARCH SA (CH) 2004-04-14 EP disclosed
US-6706280-B2 DRUG TARGETING WITH LIPOSOMES AND MAGNETIC RESONANCE IMAGING CONTRAST MEDIA FOR DIAGNOSTICS BRACCO RESEARCH S.A. (CH) 2004-03-16 US disclosed
US-20020136760-A1 CARBOXYLATED PHOSPHATIDIC ACID ESTERS BRACCO RESEARCH S.A. (CH) 2002-09-26 US disclosed
EP-1105399-A1 CARBOXYLATED PHOSPHATIDIC ACID ESTERS BRACCO RESEARCH S.A. (CH) 2001-06-13 EP disclosed
WO-2000011007-A1 CARBOXYLATED PHOSPHATIDIC ACID ESTERS BRACCO RESEARCH S.A. (CH) 2000-03-02 WO disclosed
US-5599966-A SUITABLE FOR TREATMENT OF DISEASES OF RESPIRATORY PASSAGES BYK NEDERLAND BV (NL) 1997-02-04 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-20020136760-A1 CARBOXYLATED PHOSPHATIDIC ACID ESTERS PHOSPHO1, PLD1, SGMS1 FOLH1 436/4885CYP1A2 2085/4885CPA3 924/4885

“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.