SCHEMBL3773052

SCHEMBL3773052

CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.63
CYP3A4 P08684 1/20 0.63
ATM Q13315 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
KMT2A Q03164 3/20 0.61
POLB P06746 1/20 0.56
NOD1 Q9Y239 6/20 0.49
RECQL P46063 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PLA2G2C Q5R387 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.43
FAAH O00519 1/20 0.43
MAPK1 P28482 1/20 0.43
DNM1 Q05193 1/20 0.43

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
SCHEMBL3773048 1.00 TSHR (0.63) TSHRCYP3A4ATMTDP1KMT2A
SCHEMBL155007 0.92 KMT2A (0.64) TSHRCYP3A4ATMTDP1KMT2A
SCHEMBL155009 0.92 KMT2A (0.64) TSHRCYP3A4ATMTDP1KMT2A
SCHEMBL9762120 0.92 KMT2A (0.64) TSHRCYP3A4ATMTDP1KMT2A
SCHEMBL9762126 0.92 KMT2A (0.64) TSHRCYP3A4ATMTDP1KMT2A
SCHEMBL20958551 0.92 KMT2A (0.57) TSHRCYP3A4ATMTDP1KMT2A
SCHEMBL3773050 0.91 CYP3A4 (0.62) TSHRCYP3A4ATMTDP1KMT2A
SCHEMBL3773057 0.90 PLA2G2C (0.56) TSHRCYP3A4ATMTDP1KMT2A
SCHEMBL4968856 0.89 TSHR (0.51) TSHRCYP3A4ATMTDP1KMT2A
SCHEMBL1349261 0.84 NOD1 (0.64) TSHRCYP3A4ATMTDP1KMT2A

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-1980237-B1 GELLING AGENT AJINOMOTO KK (JP) 2013-10-02 EP disclosed
US-7850955-B2 contain a specific N-acylamino acid monoamide monoalkyl ester; do not cause sweating while retaining a practical level of gel strength; good spreadability, and good fittability to skin; antiperspirants AJINOMOTO CO., INC. (JP) 2010-12-14 US disclosed
US-20080311164-A1 GELLING AGENT AJINOMOTO CO. INC (JP) 2008-12-18 US disclosed
EP-1980237-A1 GELLING AGENT Ajinomoto Co., Inc. (JP) 2008-10-15 EP 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-20080311164-A1 GELLING AGENT CUTA, NAAA, ASIC1 TSHR 4090/4885CYP3A4 2045/4885ATM 580/4885

“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.