SCHEMBL13616508

SCHEMBL13616508

CCC(CO)(CO)COCC(CO)(CO)CO

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.35
ALDH1A1 P00352 2/20 0.30
TSHR P16473 2/20 0.30

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
SCHEMBL17460095 1.00 THRB (0.35) THRBALDH1A1TSHR
SCHEMBL14022830 0.97 THRB (0.34) THRB
SCHEMBL12191395 0.97 THRB (0.34) THRB
SCHEMBL45482 0.97 THRB (0.36) THRBALDH1A1TSHR
SCHEMBL7113288 0.94 THRB (0.35) THRBALDH1A1TSHR
SCHEMBL4396584 0.94 THRB (0.35) THRBALDH1A1TSHR
SCHEMBL21291961 0.94 THRB (0.35) THRBALDH1A1TSHR
SCHEMBL17460096 0.94 THRB (0.35) THRBALDH1A1TSHR
SCHEMBL28077509 0.92 THRB (0.34) THRB
SCHEMBL10089424 0.92 THRB (0.36) THRBALDH1A1TSHR

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-9523058-B2 Mixed ester KH NEOCHEM CO., LTD. (JP) 2016-12-20 US disclosed
US-20160311970-A1 INSERTION POLYNORBORNENE-BASED THERMOSET RESINS CLAVERIE, Jérôme (CA) 2016-10-27 US disclosed
US-20160311970-A1 INSERTION POLYNORBORNENE-BASED THERMOSET RESINS CLAVERIE, Jérôme (CA) 2016-10-27 US disclosed
US-9328306-B2 Mixed ester KH NEOCHEM CO., LTD. (JP) 2016-05-03 US disclosed
US-20150090921-A1 MIXED ESTER KH NEOCHEM CO., LTD. (JP) 2015-04-02 US disclosed
US-20150001438-A1 MIXED ESTER KH NEOCHEM CO., LTD. (JP) 2015-01-01 US disclosed
US-20090286878-A1 POLYOL DERIVED ANTI-MICROBIAL AGENTS AND COMPOSITIONS CIBA CORP. 2009-11-19 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-20090286878-A1 POLYOL DERIVED ANTI-MICROBIAL AGENTS AND COMPOSITIONS CUTA, PHOSPHO1, DPM1 THRB 4186/4885ALDH1A1 4256/4885TSHR 4515/4885

“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.