SCHEMBL9932775

SCHEMBL9932775

CCCCC(CC)COC(=O)C(CC(=O)O)S(=O)(=O)O.CCCCC(CC)COC(=O)C(CC(=O)O)S(=O)(=O)O.[Na]

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.77
CYP3A4 P08684 5/20 0.51
TSHR P16473 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
ATM Q13315 1/20 0.51
ALDH1A1 P00352 6/20 0.46
CA2 P00918 3/20 0.46
LMNA P02545 3/20 0.42
MAPK1 P28482 3/20 0.41
HSD17B10 Q99714 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP14 P50281 1/20 0.36
GPR84 Q9NQS5 2/20 0.35

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
SCHEMBL67642 0.99 RECQL (0.79) RECQLCYP3A4TSHRTDP1ATM
SCHEMBL28850736 0.97 RECQL (0.77) RECQLCYP3A4TSHRTDP1ATM
SCHEMBL28039996 0.97 RECQL (0.77) RECQLCYP3A4TSHRTDP1ATM
SCHEMBL27945872 0.97 RECQL (0.77) RECQLCYP3A4TSHRTDP1ATM
SCHEMBL9468941 0.97 RECQL (0.77) RECQLCYP3A4TSHRTDP1ATM
Ammonia Solution, Strong SCHEMBL27719582 0.97 RECQL (0.77) RECQLCYP3A4TSHRTDP1ATM
SCHEMBL5156932 0.97 RECQL (0.77) RECQLCYP3A4TSHRTDP1ATM
SCHEMBL28105645 0.97 RECQL (0.77) RECQLCYP3A4TSHRTDP1ATM
Sulfuric Acid SCHEMBL4936963 0.96 RECQL (0.75) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL21332902 0.90 RECQL (0.83) RECQLCYP3A4TSHRTDP1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120156495-A1 METHOD FOR PREPARING SILICA PARTICLES CONTAINING A PHTHALOCYANINE DERIVATIVE, SAID PARTICLES AND USES THEREOF Commisarial a l'energie atomique et aux energies alternatives (FR) 2012-06-21 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-20120156495-A1 METHOD FOR PREPARING SILICA PARTICLES CONTAINING A PHTHALOCYANINE DERIVATIVE, SAID PARTICLES AND USES THEREOF PPIP5K2, SPECC1L, PML RECQL 898/4885CYP3A4 4062/4885TSHR 4697/4885

“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.