SCHEMBL6561164

SCHEMBL6561164

OCC1CCCCC(CO)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
APLNR P35414 1/20 0.35
ESR1 P03372 5/20 0.34
ESR2 Q92731 5/20 0.34
GBA1 P04062 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX5 P09917 1/20 0.32
CHRM5 P08912 2/20 0.32
CYP1A2 P05177 1/20 0.32
ADRA2C P18825 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
TSHR P16473 1/20 0.32
EPHX1 P07099 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 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
SCHEMBL6562561 0.97 EPHX2 (0.37) EPHX2APLNRESR1ESR2GBA1
SCHEMBL674422 0.93 ESR1 (0.39) EPHX2APLNRESR1ESR2GBA1
SCHEMBL63504 0.93 ESR1 (0.39) EPHX2APLNRESR1ESR2GBA1
SCHEMBL674423 0.93 ESR1 (0.39) EPHX2APLNRESR1ESR2GBA1
SCHEMBL44806 0.93 ESR1 (0.39) EPHX2APLNRESR1ESR2GBA1
SCHEMBL1895624 0.88 ESR2 (0.45) EPHX2APLNRESR1ESR2CYP3A4
SCHEMBL8173891 0.87 TDP1 (0.39) EPHX2ESR1ESR2GBA1CYP3A4
SCHEMBL5625 0.86
SCHEMBL23136777 0.86
SCHEMBL52490 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1240140-B1 METHOD FOR THE PRODUCTION OF N-ALKENYL AMIDES BASF AG (DE) 2004-03-17 EP disclosed
US-6673920-B2 REACTING AMIDES WITH ACETYLENES IN THE LIQUID PHASE IN THE PRESENCE OF BASIC ALKALI METAL COMPOUNDS AND OF A COCATALYST, WHICH COMPRISES USING AS THE COCATALYST DIOLS TO PREPARE N-ALKENYL-AMIDE BASF AKTIENGESELLSCHAFT (DE) 2004-01-06 US disclosed
US-20030036659-A1 Method for the production of n-alkenyl amides BASF AKTIENGESELLSCHAFT (DE) 2003-02-20 US disclosed
EP-0245864-A2 Cyclohexanedimethanol/diamine mixtures as RIM extenders THE DOW CHEMICAL COMPANY (US) 1987-11-19 EP disclosed
US-4659747-A HEAT RESISTANCE THE DOW CHEMICAL COMPANY (US) 1987-04-21 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-20030036659-A1 Method for the production of n-alkenyl amides NAT1, SAT1, AGPAT2 EPHX2 1288/4885APLNR 1911/4885ESR1 3675/4885

“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.