SCHEMBL25869644

SCHEMBL25869644

CCCC(=O)CCC(=O)CCC(=O)CCOS(=O)(=O)OC

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
FFAR3 O14843 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 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
SCHEMBL25869657 0.95 MAPT (0.36)
SCHEMBL25869601 0.85 ALDH1A1 (0.32) ALDH1A1CES2CES1FFAR3HDAC3
SCHEMBL25869642 0.84 TDP1 (0.30)
SCHEMBL25869653 0.84 MAPT (0.40) ALDH1A1CES2CA1CA2
SCHEMBL25869618 0.84 CA1 (0.36) ALDH1A1CES2CA1CA2
SCHEMBL25869664 0.82 GPR84 (0.31)
SCHEMBL25869629 0.81 CES2 (0.36) CES2CES1CA1CA2
Ammonia Solution, Strong SCHEMBL28812113 0.81 KMT2A (0.46) ALDH1A1CES2CES1
SCHEMBL25869626 0.80 MAPT (0.44) CES2CES1CA1CA2
SCHEMBL25869616 0.80 CA1 (0.40) CES2CES1CA1CA2

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-11708324-B2 Sulfuric acid ester or salt thereof, and surfactant DAIKIN INDUSTRIES. LTD. (JP) 2023-07-25 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-11708324-B2 Sulfuric acid ester or salt thereof, and surfactant SRP54, NR4A1, NR4A3 ALDH1A1 3345/4885CES2 3005/4885CES1 1901/4885

“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.