SCHEMBL1078743

SCHEMBL1078743

NCC(=O)N(CCCCCCCCCCCCCC(=O)O)CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.47
THRB P10828 2/20 0.47
MEN1 O00255 2/20 0.47
ALOX15 P16050 2/20 0.47
PLG P00747 1/20 0.47
SLC6A2 P23975 1/20 0.47
RECQL P46063 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TSHR P16473 5/20 0.44
NFKB1 P19838 2/20 0.44
PMP22 Q01453 1/20 0.44
CYP2D6 P10635 1/20 0.43
BLM P54132 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HDAC11 Q96DB2 4/20 0.40
GABRR3 A8MPY1 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 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
SCHEMBL3423879 0.84 GPR84 (0.41) KMT2AALDH1A1MEN1ALOX15TSHR
SCHEMBL7572227 0.82 SOAT1 (0.46) LMNAKMT2AMEN1ALOX15SLC6A2
SCHEMBL31040447 0.81 LMNA (0.52) LMNAKMT2AALDH1A1THRBMEN1
SCHEMBL31040408 0.81 LMNA (0.52) LMNAKMT2AALDH1A1THRBMEN1
SCHEMBL4975623 0.81 KDM5A (0.39) KMT2AALDH1A1MEN1ALOX15TSHR
SCHEMBL7865431 0.77 GLRA1 (0.47) LMNAKMT2ATHRBALOX15SLC6A2
SCHEMBL15065508 0.76 LMNA (0.65) LMNAKMT2AALDH1A1THRBMEN1
SCHEMBL8262546 0.76 LMNA (0.65) LMNAKMT2AALDH1A1THRBMEN1
Stearic Acid SCHEMBL16107259 0.75 GPR84 (0.59) LMNAKMT2AALDH1A1MEN1ALOX15
SCHEMBL28892785 0.74 KDM5A (0.53) KMT2AALDH1A1MEN1ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003695-A1 METHOD FOR PREPARATION OF AQUEOUS EMULSION USING INTERFACIALLY ACTIVE ORGANIC COMPOUND AS EMULSIFYING AGENT HODOGAYA CHEMICAL CO., LTD. (JP) 2011-01-06 US claimed

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-20110003695-A1 METHOD FOR PREPARATION OF AQUEOUS EMULSION USING INTERFACIALLY ACTIVE ORGANIC COMPOUND AS EMULSIFYING AGENT OSBP, OLA1, OSTC LMNA 1427/4885KMT2A 4069/4885ALDH1A1 2741/4885

“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.