SCHEMBL19986440

SCHEMBL19986440

CC(C)NC(C)CC(C)NC(C)C

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
APEX1 P27695 1/20 0.36
PMP22 Q01453 1/20 0.36
SLC6A4 P31645 1/20 0.34

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
SCHEMBL12703373 0.86 TDP1 (0.44) TDP1CYP1A2CYP2D6APEX1PMP22
SCHEMBL13995874 0.86 TDP1 (0.44) TDP1CYP1A2CYP2D6APEX1PMP22
SCHEMBL13995936 0.86 TDP1 (0.44) TDP1CYP1A2CYP2D6APEX1PMP22
SCHEMBL22201501 0.85 TDP1 (0.37) TDP1CYP1A2CYP2D6APEX1PMP22
SCHEMBL13540012 0.83 TDP1 (0.35) TDP1CYP1A2CYP2D6SLC6A4
SCHEMBL1291692 0.81 TDP1 (0.39) TDP1CYP1A2CYP2D6APEX1PMP22
SCHEMBL21909918 0.81 ALDH1A1 (0.45) TDP1CYP1A2CYP2D6APEX1PMP22
SCHEMBL18359341 0.81 TDP1 (0.39) TDP1CYP1A2CYP2D6APEX1PMP22
SCHEMBL24288643 0.78 TDP1 (0.37) TDP1CYP1A2CYP2D6APEX1PMP22
SCHEMBL20210214 0.77 TDP1 (0.50) TDP1CYP1A2CYP2D6APEX1PMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753429-B2 Cobalt complex, method for manufacturing same, and method for manufacturing cobalt-containing thin film TOSOH CORPORATION (JP) 2023-09-12 US disclosed
WO-2023093896-A1 COMPOSITION AND METHOD FOR INHIBITING EXPRESSION OF HEPATITIS B VIRUS (HBV) PROTEIN 上海舶望制药有限公司 2023-06-01 WO disclosed
US-20190322643-A1 HISTONE DEACETYLASE AND HISTONE METHYLTRANSFERASE INHIBITORS AND METHODS OF MAKING AND USE OF THE SAME GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2019-10-24 US disclosed
WO-2018050110-A1 NOVEL CAPSID PROTEIN ASSEMBLY INHIBITOR 正大天晴药业集团股份有限公司 2018-03-22 WO 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 (2 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-20190322643-A1 HISTONE DEACETYLASE AND HISTONE METHYLTRANSFERASE INHIBITORS AND METHODS OF MAKING AND USE OF THE SAME HDAC1, HDAC2, DOT1L TDP1 1093/4885CYP1A2 3976/4885CYP2D6 4240/4885
US-11753429-B2 Cobalt complex, method for manufacturing same, and method for manufacturing cobalt-containing thin film OR10J3, CNOT9, RNF10 TDP1 4679/4885CYP1A2 342/4885CYP2D6 848/4885

“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.