SCHEMBL21715702

SCHEMBL21715702

CCCC(C)c1cccc(C2CC2)n1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.35
DRD2 P14416 2/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
IDO1 P14902 2/20 0.34
CTSS P25774 3/20 0.33
CTSK P43235 3/20 0.33
DRD4 P21917 1/20 0.33
KCNH2 Q12809 1/20 0.33
IDH1 O75874 3/20 0.33
CHRNA7 P36544 1/20 0.32
TP53 P04637 2/20 0.32
MDM2 Q00987 2/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
ACACB O00763 1/20 0.31
TRPV3 Q8NET8 1/20 0.31
HSD11B1 P28845 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
SCHEMBL2609309 0.79 CHRNA7 (0.46) HTR1ADRD2HTR2AHTR7IDO1
SCHEMBL18672330 0.74 HTT (0.41)
SCHEMBL9525347 0.73 KDM4E (0.52) KCNH2TP53
SCHEMBL16803088 0.73 ABL1 (0.43) HTR1ADRD2IDO1DRD4KCNH2
SCHEMBL25677207 0.73 MCHR1 (0.44) IDH1
SCHEMBL18855225 0.73 L3MBTL1 (0.39) IDH1
SCHEMBL18596915 0.73 TSHR (0.33)
SCHEMBL22271298 0.72 HTR1A (0.37) HTR1ADRD2HTR2AHTR7IDO1
SCHEMBL21117240 0.70 HRH1 (0.39) KCNH2IDH1
SCHEMBL22481051 0.70 TSHR (0.41) DRD2DRD4TRPV3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11345676-B2 Apoptosis signal-regulating kinase 1 (ASK 1) inhibitor compounds PHARMAKEA, INC. (US) 2022-05-31 US disclosed
US-20200048218-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 (ASK 1) INHIBITOR COMPOUNDS PHARMAKEA, INC. 2020-02-13 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 (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-20200048218-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 (ASK 1) INHIBITOR COMPOUNDS BAX, BAD, BCL2 HTR1A 3572/4885DRD2 4861/4885HTR2A 4206/4885
US-11345676-B2 Apoptosis signal-regulating kinase 1 (ASK 1) inhibitor compounds BAX, BAD, BCL2 HTR1A 3572/4885DRD2 4861/4885HTR2A 4206/4885

“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.