SCHEMBL14955537

SCHEMBL14955537

C=C(C)C(=O)NCCC(CCCCC)N(C)C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.37
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA4 P43681 1/20 0.36
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
ZDHHC7 Q9NXF8 1/20 0.34
EPHX1 P07099 3/20 0.33
PLA2G2A P14555 2/20 0.33
DNM1 Q05193 2/20 0.33
SIRT6 Q8N6T7 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
TSHR P16473 2/20 0.33
PLA2G4A P47712 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33

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
Hydrochloric Acid SCHEMBL1548090 0.91 GNAI3 (0.40) DPP7GNAI3GNAO1GNAI1THRA
SCHEMBL5078440 0.85 LCK (0.38) GNAI3GNAO1GNAI1THRATHRB
SCHEMBL28694620 0.81 CHRNB2 (0.33) CHRNB2CHRNB4CHRNA4
SCHEMBL19970620 0.78 CHRNB2 (0.34) CHRNB2CHRNB4CHRNA4
SCHEMBL29024398 0.78 CHRNB2 (0.32) DPP7CHRNB2CHRNB4CHRNA4
SCHEMBL3281498 0.77 CHRNB2 (0.37) CHRNB2CHRNB4CHRNA4
SCHEMBL253022 0.76 EPHX1 (0.56) DPP7EPHX1PLA2G2APLA2G4AZDHHC20
SCHEMBL443432 0.76 GNAI3 (0.39) DPP7GNAI3GNAO1GNAI1ZDHHC7
SCHEMBL28191169 0.75 CHRNB2 (0.39) CHRNB2CHRNB4CHRNA4
SCHEMBL443152 0.75 ACE2 (0.49) DPP7GNAI3GNAO1GNAI1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8821843-B2 Rheology modifying and setting polymer, composition thereof and method for making it BASF SE (DE) 2014-09-02 US disclosed
US-20130129658-A1 Rheology Modifying and Setting Polymer, Composition thereof and Method for Making It BASF SE (DE) 2013-05-23 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-20130129658-A1 Rheology Modifying and Setting Polymer, Composition thereof and Method for Making It MMAB, ASS1, REV1 DPP7 4822/4885GNAI3 4423/4885GNAO1 4508/4885

“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.