SCHEMBL18737397

SCHEMBL18737397

CCCCCCCCCSCCOC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.43
THRB P10828 2/20 0.43
GMNN O75496 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
BLM P54132 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PRKD3 O94806 3/20 0.43
PRKCG P05129 3/20 0.43
PRKCB P05771 3/20 0.43
PRKCA P17252 3/20 0.43
PRKCH P24723 3/20 0.43
PRKCI P41743 3/20 0.43
PRKCE Q02156 3/20 0.43
PRKCQ Q04759 3/20 0.43
PRKCZ Q05513 3/20 0.43
PRKCD Q05655 3/20 0.43
PRKD1 Q15139 3/20 0.43

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
SCHEMBL14980514 0.91 PRKD3 (0.35) CES2THRBGMNNTP53POLB
SCHEMBL9888768 0.90
SCHEMBL23016783 0.87 THRB (0.41) CES2THRBGMNNTP53POLB
SCHEMBL13967412 0.84 CES1 (0.35) THRBMAPTPRKD3PRKCGPRKCB
SCHEMBL29462497 0.83 CES2 (0.45) CES2THRBGMNNTP53POLB
SCHEMBL5382481 0.83 CES2 (0.45) CES2THRBGMNNTP53POLB
SCHEMBL198942 0.82 THRB (0.57) CES2THRBGMNNTP53POLB
SCHEMBL14478060 0.82 THRB (0.57) CES2THRBGMNNTP53POLB
SCHEMBL24362145 0.82 THRB (0.57) CES2THRBGMNNTP53POLB
SCHEMBL198723 0.82 THRB (0.57) CES2THRBGMNNTP53POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170101445-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION S&T GLOBAL INC. 2017-04-13 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 (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-20170101445-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION HAVCR2, TSLP, HLA-DRB1 CES2 3192/4885THRB 4823/4885GMNN 4347/4885

“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.