SCHEMBL4878748

SCHEMBL4878748

COc1cc(C(O)C(=O)NCCCCCCC(C)C)ccc1O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
BLM P54132 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
MEN1 O00255 1/20 0.55
CYP1A2 P05177 1/20 0.55
POLB P06746 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
PMP22 Q01453 1/20 0.55
KMT2A Q03164 1/20 0.55
GLS O94925 1/20 0.50
FOLH1 Q04609 2/20 0.47
SLC22A3 O75751 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46

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
SCHEMBL2121870 0.88 NAAA (0.59) TSHRBLMNPSR1
SCHEMBL4876904 0.88 NAAA (0.59) TSHRBLMNPSR1
SCHEMBL5705007 0.88 NAAA (0.59) TSHRBLMNPSR1
SCHEMBL4886844 0.79 NAAA (0.59) CYP3A4
SCHEMBL5704957 0.79 NAAA (0.59) CYP3A4
SCHEMBL4881044 0.79 NAAA (0.59) CYP3A4
SCHEMBL10876855 0.79
SCHEMBL7947240 0.78 TYR (0.57) TSHRBLMNPSR1GLS
SCHEMBL7939608 0.75 ERCC1 (0.57) TSHRBLMNPSR1MEN1CYP1A2
SCHEMBL7939628 0.75 TSHR (0.57) TSHRBLMNPSR1MEN1CYP1A2

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
EP-1515943-B1 USE OF ALKYLAMIDOMANDELATES AS FLAVOURINGS SYMRISE GMBH & CO KG (DE) 2006-08-30 EP claimed
US-20050208084-A1 Use of alkylamidomandelates as flavourings SYMRISE GMBH & CO. KG (DE) 2005-09-22 US claimed
US-20080038386-A1 Use of a liquid cooling sensate to provide a pungent, warming or tingling sensate composition MOZA ASHOK K 2008-02-14 US disclosed
US-20050208084-A1 Use of alkylamidomandelates as flavourings SYMRISE GMBH & CO. KG (DE) 2005-09-22 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-20050208084-A1 Use of alkylamidomandelates as flavourings HNMT, TAS2R7, PNMT TSHR 4512/4885BLM 3923/4885NPSR1 2141/4885

“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.