SCHEMBL10172815

SCHEMBL10172815

O=C(OCCCS(=O)(=O)O)C1C2CC3CC(C2)CC1C3

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CCR6 P51684 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
EPHX2 P34913 2/20 0.33
HSD11B1 P28845 2/20 0.31
APP P05067 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
SCHEMBL10172856 0.95 ALDH1A1 (0.32) ALDH1A1CYP1A2POLBCYP3A4CYP2D6
SCHEMBL10172861 0.90 ALDH1A1 (0.34) ALDH1A1CYP1A2POLBCYP3A4CYP2D6
SCHEMBL8998704 0.79 ALDH1A1 (0.34) ALDH1A1CYP1A2POLBCYP3A4CYP2D6
SCHEMBL10067078 0.77 POLB (0.41) ALDH1A1CYP1A2POLBCYP2D6MAPT
SCHEMBL12938405 0.76 ALDH1A1 (0.34) ALDH1A1CYP1A2POLBCYP3A4CYP2D6
SCHEMBL10172842 0.73 POLB (0.40) ALDH1A1CYP1A2POLBCYP2D6MAPT
SCHEMBL16659682 0.73 ALDH1A1 (0.33) ALDH1A1CYP1A2POLBCYP3A4CYP2D6
SCHEMBL10067107 0.72 KMT2A (0.50) ALDH1A1POLBMAPT
SCHEMBL10172833 0.72 POLB (0.31) POLB
SCHEMBL19335863 0.72 KMT2A (0.50) ALDH1A1POLBMAPT

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-9200098-B2 Radiation-sensitive composition and compound JSR CORPORATION (JP) 2015-12-01 US disclosed
US-9200098-B2 Radiation-sensitive composition and compound JSR CORPORATION (JP) 2015-12-01 US disclosed
US-20120164582-A1 RADIATION-SENSITIVE COMPOSITION AND COMPOUND JSR CORPORATION (JP) 2012-06-28 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-20120164582-A1 RADIATION-SENSITIVE COMPOSITION AND COMPOUND RAD51, RER1, ATP6AP1 ALDH1A1 1300/4885CYP1A2 576/4885POLB 270/4885

“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.