SCHEMBL841865

SCHEMBL841865

CCCCN(CCCC)CCC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA9 Q16790 2/20 0.34
FDPS P14324 1/20 0.34
KDM5A P29375 3/20 0.33
MAPT P10636 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
KCNH2 Q12809 2/20 0.32
PHF8 Q9UPP1 2/20 0.32
KDM4C Q9H3R0 1/20 0.32
DNM1 Q05193 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ALDH2 P05091 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
SCHEMBL25018206 1.00 CA12 (0.34) CA12CA1CA9FDPSKDM5A
SCHEMBL10174210 0.95 FDPS (0.33) CA12CA1CA9FDPSKDM5A
SCHEMBL842083 0.90 KCNH2 (0.42) CA12CA1CA9FDPSKDM5A
SCHEMBL12437180 0.90 CA12 (0.34) CA12CA1CA9FDPSKDM5A
SCHEMBL841648 0.83 TSHR (0.32)
SCHEMBL841608 0.83 TSHR (0.32)
SCHEMBL840929 0.83 KCNH2 (0.47) KDM5AKCNH2KDM4CDNM1
SCHEMBL3217467 0.83 TSHR (0.31)
SCHEMBL13267718 0.82 DNM1 (0.40) CA12CA1CA9FDPSKDM5A
SCHEMBL13267614 0.82 DNM1 (0.40) CA12CA1CA9FDPSKDM5A

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-20210100775-A1 COMBINATION THERAPIES MEI PHARMA, INC. 2021-04-08 US disclosed
US-20150258068-A1 COMBINATION THERAPIES MEI PHARMA, INC. 2015-09-17 US disclosed
US-8916058-B2 Fluorobetaine copolymer and fire fighting foam concentrates therefrom E I DU PONT DE NEMOURS AND COMPANY (US) 2014-12-23 US disclosed
US-8143282-B2 Heterocyclic compounds S*BIO PTE LTD. (SG) 2012-03-27 US disclosed
US-20100098691-A1 COMBINATION OF BENZIMIDAZOLE ANTI-CANCER AGENT AND A SECOND ANTI-CANCER AGENT S'BIO PTE LTD (SG) 2010-04-22 US disclosed
US-20090048300-A1 Heterocyclic Compounds S*BIO PTE LTD. (SG) 2009-02-19 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 (4 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-20090048300-A1 Heterocyclic Compounds HDAC1, HDAC3, HDAC11 CA12 1998/4885CA1 1631/4885CA9 2114/4885
US-20100098691-A1 COMBINATION OF BENZIMIDAZOLE ANTI-CANCER AGENT AND A SECOND ANTI-CANCER AGENT PAICS, HDAC5, HDAC4 CA12 636/4885CA1 3091/4885CA9 236/4885
US-20210100775-A1 COMBINATION THERAPIES DDIT3, MCL1, ERCC2 CA12 3675/4885CA1 3898/4885CA9 3590/4885
US-20150258068-A1 COMBINATION THERAPIES HDAC1, HDAC8, HDAC5 CA12 3108/4885CA1 3264/4885CA9 3256/4885

“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.