SCHEMBL17686368

SCHEMBL17686368

CCCCCCCCC(CCC(=O)O)Cc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.47
HDAC6 Q9UBN7 8/20 0.46
HDAC1 Q13547 6/20 0.46
HDAC3 O15379 4/20 0.46
HDAC2 Q92769 4/20 0.46
HDAC8 Q9BY41 4/20 0.46
HDAC4 P56524 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
CYSLTR2 Q9NS75 3/20 0.42
CYSLTR1 Q9Y271 3/20 0.42
LPAR3 Q9UBY5 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
FDPS P14324 1/20 0.40
S1PR2 O95136 1/20 0.40

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
SCHEMBL19732279 0.88 GRIN2D (0.44) PTPRASMN1; SMN2FDPSPRSS1PRSS2
SCHEMBL29058174 0.88 GRIN2D (0.44) PTPRASMN1; SMN2FDPSPRSS1PRSS2
SCHEMBL21770640 0.88 GRIN2D (0.44) PTPRASMN1; SMN2FDPSPRSS1PRSS2
SCHEMBL23844725 0.85 KCNH2 (0.42) PTPRASMN1; SMN2LPAR3FDPSPRSS1
SCHEMBL18647910 0.85 KCNH2 (0.42) PTPRASMN1; SMN2LPAR3FDPSPRSS1
SCHEMBL2130533 0.82 PTPRA (0.55) PTPRAHDAC6HDAC1SMN1; SMN2CYP1A2
SCHEMBL28265189 0.82 GRIN2D (0.46) PTPRACYP1A2CYP2C19FDPS
SCHEMBL21879789 0.81 CPA3 (0.55) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL18948136 0.79 GRIN2D (0.44) PTPRACYP1A2CYP2C19FDPS
Dimethylamine SCHEMBL20994614 0.77 HDAC3 (0.52) HDAC6HDAC1HDAC3HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3209644-B1 HETEROCYCLIC AMPHOTERIC COMPOUNDS AS SURFACTANTS EASTMAN CHEM CO (US) 2019-09-18 EP disclosed
US-9822073-B2 Heterocyclic amphoteric compounds EASTMAN CHEMICAL COMPANY (US) 2017-11-21 US disclosed
EP-3209644-A1 HETEROCYCLIC AMPHOTERIC COMPOUNDS AS SURFACTANTS Eastman Chemical Company (US) 2017-08-30 EP disclosed
US-20170022159-A1 HETEROCYCLIC AMPHOTERIC COMPOUNDS EASTMAN CHEMICAL COMPANY (US) 2017-01-26 US disclosed
US-9533951-B2 Heterocyclic amphoteric compounds EASTMAN CHEMICAL COMPANY (US) 2017-01-03 US disclosed
US-20160107994-A1 HETEROCYCLIC AMPHOTERIC COMPOUNDS EASTMAN CHEMICAL COMPANY (US) 2016-04-21 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-20160107994-A1 HETEROCYCLIC AMPHOTERIC COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, AQP4, PLEC PTPRA 4299/4885HDAC6 138/4885HDAC1 249/4885
US-20170022159-A1 HETEROCYCLIC AMPHOTERIC COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PLEC, H1-4 PTPRA 4238/4885HDAC6 161/4885HDAC1 277/4885

“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.