SCHEMBL21172116

SCHEMBL21172116

CCCCCCC(C)(CCCCCC)COP(=O)(N1CCN(c2ccccc2)CC1)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
DRD2 P14416 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
NPSR1 Q6W5P4 4/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
CHRNA7 P36544 1/20 0.36
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
KCNH2 Q12809 1/20 0.35
GFER P55789 1/20 0.35
GLA P06280 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL21316789 0.86 DRD2 (0.39) THRATHRBDRD2SIGMAR1NPSR1
SCHEMBL408773 0.82 TSHR (0.42) DRD2SIGMAR1NPSR1LMNATSHR
SCHEMBL21172141 0.74 MEN1 (0.35) KMT2ALMNAMEN1ALDH1A1HTT
SCHEMBL21172443 0.72 MEN1 (0.36) KMT2ALMNAMEN1HTTGAA
SCHEMBL20031984 0.70 MAPK1 (0.31) MAPK1
SCHEMBL20032118 0.70 SMPD1 (0.32)
SCHEMBL22001607 0.66 GFER (0.41) DRD2SIGMAR1NPSR1LMNATSHR
SCHEMBL21172114 0.66 GNAO1 (0.34)
SCHEMBL15443824 0.66 CHRNA7 (0.49) DRD2SIGMAR1NPSR1LMNATSHR
SCHEMBL20032010 0.65 S1PR1 (0.30) S1PR1

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-10760078-B2 Oligonucleotide analogues having modified intersubunit linkages and/or terminal groups SAREPTA THERAPEUTICS, INC. (US) 2020-09-01 US disclosed
US-20190218551-A1 OLIGONUCLEOTIDE ANALOGUES HAVING MODIFIED INTERSUBUNIT LINKAGES AND/OR TERMINAL GROUPS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2019-07-18 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-20190218551-A1 OLIGONUCLEOTIDE ANALOGUES HAVING MODIFIED INTERSUBUNIT LINKAGES AND/OR TERMINAL GROUPS NSUN2, UPF1, RTCB THRA 3250/4885THRB 2304/4885DRD2 4736/4885
US-10760078-B2 Oligonucleotide analogues having modified intersubunit linkages and/or terminal groups NSUN2, UPF1, RTCB THRA 3250/4885THRB 2304/4885DRD2 4736/4885

“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.