SCHEMBL13664127

SCHEMBL13664127

CCCCOc1c(OCCCC)c(-c2cc(F)c(F)c(F)c2)c(C(=O)OC)c(-c2c(OCCCC)c(OCCCC)c(OCCCC)c(-c3cc(F)c(F)c(F)c3)c2C(=O)OC)c1OCCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.39
FFAR1 O14842 1/20 0.39
ALPL P05186 1/20 0.37
RARA P10276 1/20 0.37
RARB P10826 1/20 0.37
ESR1 P03372 2/20 0.37
CCNB2 O95067 5/20 0.36
CCNE2 O96020 5/20 0.36
CDK1 P06493 5/20 0.36
CDK4 P11802 5/20 0.36
CCNB1 P14635 5/20 0.36
CCND1 P24385 5/20 0.36
CCNE1 P24864 5/20 0.36
CDK2 P24941 5/20 0.36
CCND2 P30279 5/20 0.36
CCND3 P30281 5/20 0.36
CCNB3 Q8WWL7 5/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
THRA P10827 1/20 0.35

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
SCHEMBL13662892 0.88 TSHR (0.40) FFAR4FFAR1NPC1RAB9ARECQL
SCHEMBL11928778 0.79 SMN1; SMN2 (0.38) FFAR4FFAR1BDKRB1
SCHEMBL13662901 0.79 LMNA (0.51) FFAR4PLA2G2A
SCHEMBL13664123 0.76 GCGR (0.35) FFAR4FFAR1RARARARBCCNB2
SCHEMBL13664228 0.75 THRA (0.42) ALPLESR1CCNB2CCNE2CDK1
SCHEMBL13664128 0.73 RARA (0.32) FFAR4FFAR1RARARARBCCNB2
SCHEMBL17467930 0.72 ESR1 (0.47) ESR1NPC1RAB9A
SCHEMBL14261951 0.72 ALPL (0.46) ALPLRARARARBCCNB2CCNE2
SCHEMBL13662920 0.71 PDE3B (0.36) FFAR4FFAR1CNR2HTTBDKRB1
SCHEMBL23574640 0.71 NPC1 (0.37) ALPLESR1CCNB2CCNE2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270614-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME NAGASE & CO., LTD. (JP) 2009-10-29 US disclosed
EP-1870403-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING -AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME NAGASE & COMPANY, LTD. (JP) 2007-12-26 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-20090270614-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME BCAT1, BCAT2, AADAT FFAR4 3653/4885FFAR1 1468/4885ALPL 2241/4885

“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.