SCHEMBL13664123

SCHEMBL13664123

CCCCOc1c(OCCCC)c(-c2cc(F)c(F)c(F)c2)c(CO)c(-c2c(CO)c(-c3cc(F)c(F)c(F)c3)c(OCCCC)c(OCCCC)c2OCCCC)c1OCCCC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 5/20 0.35
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
CCNB2 O95067 4/20 0.32
CCNE2 O96020 4/20 0.32
CDK1 P06493 4/20 0.32
CDK4 P11802 4/20 0.32
CCNB1 P14635 4/20 0.32
CCND1 P24385 4/20 0.32
CCNE1 P24864 4/20 0.32
CDK2 P24941 4/20 0.32
CCND2 P30279 4/20 0.32
CCND3 P30281 4/20 0.32
CCNB3 Q8WWL7 4/20 0.32
MGAM O43451 3/20 0.31
GAA P10253 3/20 0.31

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
SCHEMBL5537532 0.87 PDE5A (0.32)
SCHEMBL13664128 0.86 RARA (0.32) RARARARBFFAR1FFAR4THRA
SCHEMBL30699313 0.77 PDE3B (0.38) GCGRFFAR1FFAR4
SCHEMBL4300317 0.77 PDE3B (0.38) GCGRFFAR1FFAR4
SCHEMBL13664127 0.76 FFAR4 (0.39) RARARARBFFAR1FFAR4THRA
SCHEMBL4309431 0.75 GAA (0.41) FFAR4THRATHRBMGAMGAA
SCHEMBL13664504 0.72
SCHEMBL5532894 0.72
SCHEMBL1582737 0.70 ALDH1A1 (0.40) RARARARBTHRATHRBCCNB2
SCHEMBL12829236 0.70 MCL1 (0.41) RARARARBFFAR1FFAR4GAA

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 GCGR 4696/4885RARA 1570/4885RARB 1135/4885

“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.