SCHEMBL841870

SCHEMBL841870

CCN(CCC(C)(C)C)CCC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHRM2 P08172 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD1 P21728 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
ADRA1A P35348 1/20 0.30
OPRM1 P35372 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30
KCNH2 Q12809 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL841265 0.94 TSHR (0.33) TSHRTDP1
SCHEMBL866725 0.92 KCNH2 (0.31) KCNH2
SCHEMBL842083 0.87 KCNH2 (0.42) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL21612998 0.87 TDP1 (0.33) TDP1
SCHEMBL13656279 0.87 CYP1A2 (0.47) CYP1A2CYP2C9HPGDMAPK1HIF1A
SCHEMBL13407596 0.86
SCHEMBL840929 0.85 KCNH2 (0.47) KCNH2
SCHEMBL841251 0.83 ARG1 (0.36) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL841874 0.83 KCNH2 (0.50) KCNH2
SCHEMBL3217467 0.83 TSHR (0.31) TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220016082-A1 COMBINATION THERAPIES FOR HIGH AND VERY HIGH RISK MDS MEI PHARMA, INC. 2022-01-20 US disclosed
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-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
WO-2008108741-A1 COMBINATION OF BENZIMIDAZOLE ANTI-CANCER AGENT AND A SECOND ANTI-CANCER AGENT S*BIO PTE LTD (SG) 2008-09-12 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 (5 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 TSHR 3681/4885TDP1 649/4885CHRM2 4367/4885
US-20100098691-A1 COMBINATION OF BENZIMIDAZOLE ANTI-CANCER AGENT AND A SECOND ANTI-CANCER AGENT PAICS, HDAC5, HDAC4 TSHR 4711/4885TDP1 3146/4885CHRM2 4464/4885
US-20220016082-A1 COMBINATION THERAPIES FOR HIGH AND VERY HIGH RISK MDS DNMT3A, TET2, HDAC8 TSHR 4237/4885TDP1 366/4885CHRM2 4683/4885
US-20210100775-A1 COMBINATION THERAPIES DDIT3, MCL1, ERCC2 TSHR 3507/4885TDP1 326/4885CHRM2 4832/4885
US-20150258068-A1 COMBINATION THERAPIES HDAC1, HDAC8, HDAC5 TSHR 3342/4885TDP1 346/4885CHRM2 4755/4885

“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.