SCHEMBL18558762

SCHEMBL18558762

CCCC(CC)NCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.39
ADRA1A P35348 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
CHRM1 P11229 1/20 0.39
AKR1A1 P14550 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TAS1R3 Q7RTX0 4/20 0.37
TAS1R1 Q7RTX1 4/20 0.37
MME P08473 1/20 0.36
ACE P12821 1/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
HDAC8 Q9BY41 2/20 0.35
HDAC7 Q8WUI4 1/20 0.35

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
SCHEMBL20987975 0.87 FAAH (0.44) TDP1ADRA1AHDAC1HDAC2CHRM1
SCHEMBL7044031 0.86 MME (0.41) TDP1ADRA1AMMEACECPA1
SCHEMBL21638748 0.86 FAAH (0.46) FAAHMAPT
SCHEMBL28110606 0.84 FAAH (0.49) TDP1FAAHALDH1A1MAPTTSHR
SCHEMBL16267385 0.84 MME (0.39) TDP1ADRA1AMMEACECPA1
SCHEMBL18424729 0.83 TDP1 (0.37) TDP1ADRA1AHDAC1HDAC2CHRM1
SCHEMBL8279861 0.83 MME (0.34) TDP1ADRA1AMMEACECPA1
SCHEMBL1643592 0.80 LMNA (0.56) TDP1ADRA1AMMEACECPA1
SCHEMBL20762526 0.79 TET2 (0.41) TAS1R3TAS1R1HDAC8HDAC7HDAC6
SCHEMBL20988183 0.79 TAS1R3 (0.35) TDP1ADRA1AHDAC1HDAC2CHRM1

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-10696707-B2 Polyene macrolide derivative SHIONOGI & CO., LTD. (JP) 2020-06-30 US disclosed
US-10696679-B2 Methods and compounds for treating paramyxoviridae virus infections GILEAD SCIENCES, INC. (US) 2020-06-30 US disclosed
US-20190135847-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2019-05-09 US disclosed
US-10246478-B2 Polyene macrolide derivative SHIONOGI & CO., LTD. (JP) 2019-04-02 US disclosed
US-20190055251-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. 2019-02-21 US disclosed
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-07-06 US disclosed
US-9579332-B2 Phosphonate analogs of HIV inhibitor compounds GILEAD SCIENCES, INC. (US) 2017-02-28 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 (6 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-20170190729-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 TDP1 4057/4885ADRA1A 4726/4885HDAC1 1628/4885
US-10696679-B2 Methods and compounds for treating paramyxoviridae virus infections PNP, RPIA, HPRT1 TDP1 298/4885ADRA1A 3756/4885HDAC1 1202/4885
US-10246478-B2 Polyene macrolide derivative ERG28, RPL23, RPL10 TDP1 4057/4885ADRA1A 4726/4885HDAC1 1628/4885
US-20190055251-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS PNP, RPIA, HPRT1 TDP1 298/4885ADRA1A 3756/4885HDAC1 1202/4885
US-20190135847-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 TDP1 4057/4885ADRA1A 4726/4885HDAC1 1628/4885
US-10696707-B2 Polyene macrolide derivative ERG28, RPL23, RPL10 TDP1 4057/4885ADRA1A 4726/4885HDAC1 1628/4885

“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.