SCHEMBL8738810

SCHEMBL8738810

CCCCCCOC(=O)CCNCCSSCCN

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.51
NAAA Q02083 1/20 0.45
DGKA P23743 1/20 0.45
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
FAAH O00519 1/20 0.42
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
CNR1 P21554 1/20 0.40
RAD52 P43351 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
EPHX1 P07099 1/20 0.40
DNM1 Q05193 1/20 0.39
ACHE P22303 6/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX2 P34913 1/20 0.38

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
SCHEMBL16601935 0.92 NAAA (0.45) HTR2CNAAADGKAPRSS1PRSS2
SCHEMBL16601933 0.90 NAAA (0.42) HTR2CNAAADGKAPRSS1PRSS2
SCHEMBL10099923 0.89 ALDH1A1 (0.40) HTR2CDGKAALDH1A1MAPTTHRB
SCHEMBL11378431 0.87 HTR2C (0.61) HTR2CNAAADGKAPRSS1PRSS2
SCHEMBL11228989 0.87 HTR2C (0.61) HTR2CNAAADGKAPRSS1PRSS2
SCHEMBL11229532 0.87 HTR2C (0.61) HTR2CNAAADGKAPRSS1PRSS2
SCHEMBL11236824 0.87 HTR2C (0.61) HTR2CNAAADGKAPRSS1PRSS2
SCHEMBL11240692 0.87 HTR2C (0.61) HTR2CNAAADGKAPRSS1PRSS2
SCHEMBL16929670 0.85 HTR2C (0.58) HTR2CNAAADGKAPRSS1PRSS2
SCHEMBL10099921 0.84 ACHE (0.38) HTR2CNAAADGKAPRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8992991-B2 Multicomponent degradable cationic polymers THE JOHNS HOPKINS UNIVERSITY (US) 2015-03-31 US disclosed
US-8992991-B2 Multicomponent degradable cationic polymers THE JOHNS HOPKINS UNIVERSITY (US) 2015-03-31 US disclosed
US-20120128782-A1 Multicomponent Degradable Cationic Polymers THE JOHNS HOPKINS UNIVERSITY (US) 2012-05-24 US disclosed
US-20120128782-A1 Multicomponent Degradable Cationic Polymers THE JOHNS HOPKINS UNIVERSITY (US) 2012-05-24 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 (1 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-20120128782-A1 Multicomponent Degradable Cationic Polymers PEF1, FIBP, PARN HTR2C 2124/4885NAAA 2077/4885DGKA 1064/4885

“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.