SCHEMBL16816629

SCHEMBL16816629

CCCCCCCSCCCCCCCC=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.73
FAAH O00519 6/20 0.64
TRPV1 Q8NER1 2/20 0.64
CES2 O00748 3/20 0.47
GMNN O75496 1/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
CYP2C9 P11712 1/20 0.47
BLM P54132 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CA2 P00918 1/20 0.45
EPHX1 P07099 1/20 0.43
ADH1B P00325 1/20 0.43
ADH1C P00326 1/20 0.43
ADH1A P07327 1/20 0.43
ADH4 P08319 1/20 0.43
ADH7 P40394 1/20 0.43
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL20589931 0.93 TSHR (0.61) TSHRFAAHTRPV1CES2GMNN
SCHEMBL10771513 0.91 TSHR (0.58) TSHRFAAHTRPV1CES2GMNN
SCHEMBL11785538 0.91 TSHR (0.58) TSHRFAAHTRPV1CES2GMNN
SCHEMBL10772384 0.91 TSHR (0.58) TSHRFAAHTRPV1CES2GMNN
SCHEMBL10775795 0.91 TSHR (0.58) TSHRFAAHTRPV1CES2GMNN
SCHEMBL10772357 0.91 TSHR (0.58) TSHRFAAHTRPV1CES2GMNN
SCHEMBL22046131 0.91 TSHR (0.58) TSHRFAAHTRPV1CES2GMNN
SCHEMBL22046136 0.91 TSHR (0.58) TSHRFAAHTRPV1CES2GMNN
SCHEMBL10777107 0.91 TSHR (0.58) TSHRFAAHTRPV1CES2GMNN
SCHEMBL29191469 0.91 TSHR (0.58) TSHRFAAHTRPV1CES2GMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266853-B2 Orally available viridiofungin derivative possessing anti-HCV activity CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-02-23 US disclosed
US-20150210666-A1 ORALLY AVAILABLE VIRIDIOFUNGIN DERIVATIVE POSSESSING ANTI-HCV ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-07-30 US disclosed
EP-2886530-A1 ORALLY ADMINISTRABLE VIRIDIOFUNGIN DERIVATIVE HAVING ANTI-HCV ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 2015-06-24 EP 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-20150210666-A1 ORALLY AVAILABLE VIRIDIOFUNGIN DERIVATIVE POSSESSING ANTI-HCV ACTIVITY ZC3HAV1, SLC10A1, CYP51A1 TSHR 4778/4885FAAH 2913/4885TRPV1 3499/4885

“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.