SCHEMBL6877804

SCHEMBL6877804

[CH2]CC(CCC1CCCCC1)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.39
CYP1A2 P05177 1/20 0.35
SIGMAR1 Q99720 3/20 0.33
HPGD P15428 1/20 0.32
ALDH1A1 P00352 1/20 0.32
EPHX1 P07099 3/20 0.32
SHBG P04278 1/20 0.32
TP53 P04637 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
SCHEMBL9450351 0.98 METAP1 (0.36) METAP1CYP1A2SIGMAR1
SCHEMBL7434472 0.88 CYP1A2 (0.42) METAP1CYP1A2SIGMAR1HPGDALDH1A1
SCHEMBL5087587 0.88 CYP1A2 (0.42) METAP1CYP1A2SIGMAR1HPGDALDH1A1
SCHEMBL8082088 0.88 CYP1A2 (0.42) METAP1CYP1A2SIGMAR1HPGDALDH1A1
SCHEMBL2990994 0.87 METAP1 (0.44) METAP1CYP1A2SIGMAR1HPGDALDH1A1
SCHEMBL6823998 0.84 SIGMAR1 (0.39) METAP1CYP1A2SIGMAR1EPHX1
SCHEMBL7093117 0.82 SIGMAR1 (0.42) CYP1A2SIGMAR1EPHX1
SCHEMBL9204160 0.80 EPHX1 (0.36) ALDH1A1EPHX1SHBGTP53
SCHEMBL9213980 0.79 EPHX1 (0.42) CYP1A2SIGMAR1ALDH1A1EPHX1SHBG
SCHEMBL1443658 0.79 SHBG (0.46) METAP1CYP1A2SIGMAR1HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040242891-A1 Production of keto acids CAMPBELL JONATHAN (GB) 2004-12-02 US disclosed
EP-1442009-A1 PRODUCTION OF KETO ACIDS Ciba SC Holding AG (CH) 2004-08-04 EP disclosed
WO-2003037846-A1 PRODUCTION OF KETO ACIDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-05-08 WO 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-20040242891-A1 Production of keto acids PKLR, KHK, ME1 METAP1 921/4885CYP1A2 679/4885SIGMAR1 2983/4885

“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.