SCHEMBL18905596

SCHEMBL18905596

CCOC(=O)CCP(=O)(CCC(C)(C)C)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.37
TRPA1 O75762 1/20 0.37
CYP1A2 P05177 1/20 0.37
GAA P10253 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 2/20 0.33
SMYD3 Q9H7B4 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
PPARD Q03181 2/20 0.32
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NR1I2 O75469 1/20 0.31
PGR P06401 1/20 0.31
ADORA3 P0DMS8 1/20 0.31

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
SCHEMBL18911294 0.88 POLB (0.41) POLBSMN1; SMN2ALDH1A1TRPA1CYP1A2
SCHEMBL17047614 0.88 POLB (0.44) POLBSMN1; SMN2ALDH1A1TRPA1CYP1A2
SCHEMBL18905592 0.83 CYP1A2 (0.41) POLBSMN1; SMN2ALDH1A1TRPA1CYP1A2
SCHEMBL17047630 0.83 POLB (0.38) POLBSMN1; SMN2ALDH1A1CYP1A2GAA
SCHEMBL2354099 0.81 CYP1A2 (0.42) POLBSMN1; SMN2ALDH1A1TRPA1CYP1A2
SCHEMBL8231853 0.80 ALDH1A1 (0.44) POLBSMN1; SMN2ALDH1A1TRPA1CYP1A2
SCHEMBL17072529 0.79 ALDH1A1 (0.42) POLBSMN1; SMN2ALDH1A1TRPA1CYP1A2
SCHEMBL15743383 0.79 ALDH1A1 (0.42) POLBSMN1; SMN2ALDH1A1TRPA1CYP1A2
SCHEMBL18905595 0.77 ALOX15 (0.38) POLBSMN1; SMN2ALDH1A1TRPA1CYP1A2
SCHEMBL17047634 0.75 ALOX15 (0.36) POLBSMN1; SMN2ALDH1A1TRPA1CYP1A2

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-20170152274-A1 CHARGED LINKERS AND THEIR USES FOR CONJUGATION HANGZHOU DAC BIOTECH CO., LTD. (CN) 2017-06-01 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-20170152274-A1 CHARGED LINKERS AND THEIR USES FOR CONJUGATION PHOSPHO1, PCTP, CD2BP2 POLB 3395/4885SMN1; SMN2 3710/4885ALDH1A1 4122/4885

“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.