SCHEMBL403439

SCHEMBL403439

CCOP(=O)(OCC)C(C)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.39
GAA P10253 2/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PPARD Q03181 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
HMGCR P04035 1/20 0.33

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
SCHEMBL10201143 0.78 TSHR (0.50) TSHRTP53TDP1POLBGAA
SCHEMBL1711012 0.78 TSHR (0.50) TSHRTP53TDP1POLBGAA
SCHEMBL1107747 0.77 TSHR (0.43) TSHRTP53TDP1POLBPPARD
Water SCHEMBL4956659 0.77 TP53 (0.41) TSHRTP53TDP1POLBGAA
SCHEMBL9050380 0.75 POLB (0.46) TSHRTP53TDP1POLBGAA
SCHEMBL21511095 0.75 HMGCR (0.42) TSHRTP53TDP1POLBGAA
SCHEMBL9157801 0.75 LAP3 (0.42) TSHRTP53TDP1POLBGAA
SCHEMBL10911354 0.75 TSHR (0.53) TSHRTP53TDP1POLBGAA
SCHEMBL11183861 0.74 TSHR (0.46) TSHRTP53TDP1POLBGAA
SCHEMBL22034596 0.74 TSHR (0.46) TSHRTP53TDP1POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716346-B2 Alkylating agent combinations in the treatment of cancer CASE WESTERN RESERVE UNIVERSITY (US) 2014-05-06 US disclosed
US-8324282-B2 Alkylating agent combinations in the treatment of cancer CASE WESTERN RESERVE UNIVERSITY (US) 2012-12-04 US disclosed
US-20120065145-A1 ALKYLATING AGENT COMBINATIONS IN THE TREATMENT OF CANCER GERSON STANTON L (US) 2012-03-15 US disclosed
US-20120065145-A1 ALKYLATING AGENT COMBINATIONS IN THE TREATMENT OF CANCER GERSON STANTON L (US) 2012-03-15 US disclosed
US-20080058579-A1 Compositions and methods for treating disease utilizing a combination of radioactive therapy and cell-cycle inhibitors ANGIOTECH INTERNATIONAL AG (CH) 2008-03-06 US disclosed
US-20080058579-A1 Compositions and methods for treating disease utilizing a combination of radioactive therapy and cell-cycle inhibitors ANGIOTECH INTERNATIONAL AG (CH) 2008-03-06 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-20120065145-A1 ALKYLATING AGENT COMBINATIONS IN THE TREATMENT OF CANCER UNG, TOP2A, OGG1 TSHR 3648/4885TP53 24/4885TDP1 107/4885

“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.