SCHEMBL6469747

SCHEMBL6469747

CCOC(=O)CC(CC(=O)CCCl)OC(=O)COC

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
CYP3A4 P08684 2/20 0.33
ALOX15 P16050 2/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHRM1 P11229 1/20 0.32
ADORA1 P30542 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
CYP1A2 P05177 1/20 0.30
TRPA1 O75762 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
SCHEMBL5138160 1.00 ALDH1A1 (0.33) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL1267662 0.86 MGAM (0.41) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL3771016 0.84 PRKCA (0.36) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL5017892 0.84 PRKCA (0.36) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL5023333 0.81 ALDH1A1 (0.33) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL5023336 0.81 ALDH1A1 (0.33) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL1269203 0.80 ALDH1A1 (0.36) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL16064815 0.80 CYP1A2 (0.38) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL3778037 0.76 ALDH1A1 (0.35) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL5023297 0.76 ALDH1A1 (0.35) ALDH1A1CYP3A4ALOX15TSHRTDP1

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-20050014954-A1 Pyrrole synthesis CIBA SPECIALTY CHEMICALS CORP. 2005-01-20 US disclosed
EP-1451179-A1 PYRROLE SYNTHESIS Ciba SC Holding AG (CH) 2004-09-01 EP disclosed
WO-2003044011-A1 PYRROLE SYNTHESIS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-05-30 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-20050014954-A1 Pyrrole synthesis PNPO, PPOX, DHPS ALDH1A1 511/4885CYP3A4 177/4885ALOX15 357/4885

“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.