SCHEMBL19251058

SCHEMBL19251058

CSC(C)OCc1ccoc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
CETP P11597 1/20 0.37
ACACB O00763 2/20 0.35
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
ALOX5 P09917 1/20 0.31
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
SCHEMBL1107005 0.81 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1CETPACACB
SCHEMBL4620171 0.76 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1CETPACACB
SCHEMBL4620862 0.76 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1CETPACACB
SCHEMBL24590336 0.73 TSHR (0.44) SLC1A3SLC1A2SLC1A1
SCHEMBL1145283 0.70
SCHEMBL21566909 0.69 IDO1 (0.50)
SCHEMBL3952347 0.69 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1CETPACACB
SCHEMBL10033514 0.68 CETP (0.47) SLC1A3SLC1A2SLC1A1CETPACACB
SCHEMBL20093550 0.68 HPGD (0.37) ACACBPTGS1PTGS2ALOX5TRPA1
SCHEMBL19251019 0.68 ALDH1A1 (0.46) SLC1A3SLC1A2SLC1A1ACACBPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9878987-B2 HSP70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2018-01-30 US disclosed
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2017-08-17 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-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 SLC1A3 4312/4885SLC1A2 3134/4885SLC1A1 3948/4885

“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.