SCHEMBL101148

SCHEMBL101148

Nc1cc(CCCCC(=O)O)ccc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
CYP1A2 P05177 2/20 0.51
S1PR1 P21453 4/20 0.49
PLA2G10 O15496 1/20 0.49
PLA2G2A P14555 1/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC3 O15379 1/20 0.49
MAPK1 P28482 1/20 0.49
ADRA1A P35348 1/20 0.49
HDAC4 P56524 1/20 0.49
SLC6A3 Q01959 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49

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
SCHEMBL98234 0.95 CYP1A2 (0.56) MAPTRXFP1CYP1A2S1PR1PLA2G10
SCHEMBL7112336 0.82 MAPT (0.54) MAPTRXFP1CYP1A2S1PR1PLA2G10
SCHEMBL10713778 0.80 LMNA (0.56) MAPTPLA2G10PLA2G2AFFAR1
SCHEMBL6187403 0.79 BACE1 (0.49) MAPTSMN1; SMN2
SCHEMBL11761165 0.79 HDAC3 (0.61) MAPTRXFP1CYP1A2PLA2G10PLA2G2A
SCHEMBL15823568 0.79 ALOX5 (0.51) MAPTCYP1A2MAPK1SMN1; SMN2CYP2D6
SCHEMBL27951169 0.78 MAPT (0.51) MAPTRXFP1CYP1A2HDAC2HDAC1
SCHEMBL99719 0.78 MTNR1A (0.42) CYP1A2PLA2G10PLA2G2A
SCHEMBL1958621 0.77 FFAR1 (0.75) MAPTRXFP1CYP1A2HDAC2HDAC1
SCHEMBL15823895 0.77 PTPN1 (0.59) HDAC1FFAR1

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
US-9072734-B2 Quaternary ammonium salt compounds TEIJIN PHARMA LIMITED (JP) 2015-07-07 US disclosed
CN-102459231-B Quaternary ammonium salt compound TEIJIN PHARMA LTD 2015-04-22 CN disclosed
EP-2426121-A1 QUATERNARY AMMONIUM SALT COMPOUND Teijin Pharma Limited (JP) 2012-03-07 EP disclosed
US-20120046467-A1 QUATERNARY AMMONIUM SALT COMPOUNDS TEIJIN PHARMA LIMITED (JP) 2012-02-23 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-20120046467-A1 QUATERNARY AMMONIUM SALT COMPOUNDS ADRB2, AGTR2, ADRB3 MAPT 2879/4885RXFP1 446/4885CYP1A2 621/4885

“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.