SCHEMBL17439205

SCHEMBL17439205

CCCCCCOC(O)COCC.CCCCCCOCCOCC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
MEN1 O00255 1/20 0.48
THRB P10828 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 1/20 0.48
USP2 O75604 1/20 0.47
LPAR1 Q92633 7/20 0.43
LPAR3 Q9UBY5 7/20 0.43
LPAR2 Q9HBW0 4/20 0.43
SPHK1 Q9NYA1 1/20 0.42
LPAR5 Q9H1C0 4/20 0.41
CES2 O00748 1/20 0.38
DNM1 Q05193 1/20 0.38
TLR2 O60603 2/20 0.38
LPAR6 P43657 3/20 0.37
LPAR4 Q99677 3/20 0.37

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
SCHEMBL3911391 0.93 USP2 (0.51) HTTMEN1THRBKMT2AMAPT
SCHEMBL31122629 0.87 USP2 (0.60) HTTMEN1THRBKMT2AMAPT
Sulfuric Acid SCHEMBL15603383 0.86 USP2 (0.45) HTTMEN1THRBKMT2AMAPT
Sulfuric Acid SCHEMBL15603324 0.86 USP2 (0.45) HTTMEN1THRBKMT2AMAPT
Sulfuric Acid SCHEMBL15603313 0.86 USP2 (0.45) HTTMEN1THRBKMT2AMAPT
Sulfuric Acid SCHEMBL15603286 0.86 USP2 (0.45) HTTMEN1THRBKMT2AMAPT
Sulfuric Acid SCHEMBL15603307 0.86 USP2 (0.45) HTTMEN1THRBKMT2AMAPT
Sulfuric Acid SCHEMBL15603377 0.86 USP2 (0.45) HTTMEN1THRBKMT2AMAPT
Sulfuric Acid SCHEMBL15603360 0.86 USP2 (0.45) HTTMEN1THRBKMT2AMAPT
Sulfuric Acid SCHEMBL15603369 0.86 USP2 (0.45) HTTMEN1THRBKMT2AMAPT

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-20170057894-A1 Method for Producing Butanol Using Extractive Fermentation BUTAMAX ADVANCED BIOFUELS LLC (US) 2017-03-02 US disclosed
US-9517985-B2 Method for producing butanol using extractive fermentation BUTAMAX ADVANCED BIOFUELS LLC (US) 2016-12-13 US disclosed
US-20160016870-A1 METHOD FOR PRODUCING BUTANOL USING EXTRACTIVE FERMENTATION GEVO, INC. 2016-01-21 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 (2 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-20170057894-A1 Method for Producing Butanol Using Extractive Fermentation DCXR, ADH5, SORD HTT 2974/4885MEN1 2836/4885THRB 4379/4885
US-20160016870-A1 METHOD FOR PRODUCING BUTANOL USING EXTRACTIVE FERMENTATION DCXR, ADH5, SORD HTT 2974/4885MEN1 2836/4885THRB 4379/4885

“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.