SCHEMBL8950447

SCHEMBL8950447

CCC(C)OCCC(C)O

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 2/20 0.39
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL27932925 0.80 TSHR (0.43) TSHRTDP1HSD17B10
SCHEMBL12287122 0.79 ALDH1A1 (0.39) TDP1
SCHEMBL8737938 0.79 TSHR (0.33) TSHRTDP1
SCHEMBL268055 0.78 TDP1 (0.35) TSHRTDP1HSD17B10
SCHEMBL1476871 0.78 LMNA (0.37) TSHRTDP1
SCHEMBL9508009 0.78 TDP1 (0.38) TSHRTDP1HSD17B10
SCHEMBL3418037 0.77 TSHR (0.38) TSHRTDP1HSD17B10
SCHEMBL10066404 0.77
SCHEMBL268349 0.76 TDP1 (0.33) TDP1
SCHEMBL269812 0.76 TDP1 (0.33) TDP1

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
CN-103172492-B Preparation method of sec-butyl alcohol 北京石油化工学院 2017-02-08 CN disclosed
US-9000227-B2 Process for preparing 3-substituted 2-alkenals, in particular prenal BASF SE (DE) 2015-04-07 US disclosed
US-20140323770-A1 PROCESS FOR PREPARING 3-SUBSTITUTED 2-ALKENALS, IN PARTICULAR PRENAL BASF SE (DE) 2014-10-30 US disclosed
US-5546108-A Ink-jet type recorder having an ink carrier and letting ink by combined heat and eletrostatic force MINOLTA CAMERA KABUSHIKI KAISHA (JP) 1996-08-13 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-20140323770-A1 PROCESS FOR PREPARING 3-SUBSTITUTED 2-ALKENALS, IN PARTICULAR PRENAL C9, CBR3, CBR1 TSHR 3297/4885TDP1 4766/4885HSD17B10 262/4885

“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.