SCHEMBL8567763

SCHEMBL8567763

CN(C)C(=O)CCCCCC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA4 P43681 1/20 0.44
HTT P42858 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
FFAR1 O14842 1/20 0.35
CPT2 P23786 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4A O75164 11/20 0.35
KDM4C Q9H3R0 11/20 0.35
KDM5A P29375 1/20 0.35
KDM7A Q6ZMT4 1/20 0.35
PHF8 Q9UPP1 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
TBXAS1 P24557 1/20 0.34

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
SCHEMBL13617194 0.98 ALDH1A1 (0.54) ALDH1A1CHRNB2CHRNB4CHRNA4HTT
SCHEMBL13334811 0.91 ALDH1A1 (0.56) ALDH1A1CHRNB2CHRNB4CHRNA4HTT
SCHEMBL8971741 0.86 GPR84 (0.55) ALDH1A1FFAR1TDP1
SCHEMBL10389155 0.85 ALOX5 (0.44) ALDH1A1HDAC1HDAC2HDAC6FFAR1
SCHEMBL10388290 0.85 ALOX5 (0.44) ALDH1A1HDAC1HDAC2HDAC6FFAR1
SCHEMBL19756263 0.83 HDAC1 (0.35) ALDH1A1HDAC1HDAC2HDAC6FFAR1
SCHEMBL8849846 0.83 ALDH1A1 (0.48) ALDH1A1CHRNB2CHRNB4CHRNA4HTT
SCHEMBL19756268 0.83 HDAC1 (0.35) ALDH1A1HDAC1HDAC2HDAC6FFAR1
SCHEMBL3189950 0.83 ALDH1A1 (0.70) ALDH1A1CHRNB2CHRNB4CHRNA4HTT
SCHEMBL6379472 0.83 ALDH1A1 (0.48) ALDH1A1CHRNB2CHRNB4CHRNA4HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240268381-A1 Agricultural Chemical Formulation HU NAN (US) 2024-08-15 US disclosed
EP-4346403-A1 AGRICULTURAL CHEMICAL FORMULATION ExxonMobil Chemical Patents Inc. (US) 2024-04-10 EP disclosed
CN-117396068-A Agrochemical formulations 埃克森美孚化学专利公司 2024-01-12 CN disclosed
WO-2022248288-A1 AGRICULTURAL CHEMICAL FORMULATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2022-12-01 WO disclosed
CN-112143579-A Asphalt cleaning agent and preparation method thereof 广州玮弘祺生物科技有限公司 2020-12-29 CN disclosed
US-20190151403-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. 2019-05-23 US disclosed
WO-1997047195-A9 INSECT REPELLING COMPOSITIONS COMPRISING N-ALKYL NEOALKANAMIDE AND DEET 1998-03-12 WO disclosed
WO-1997047195-A1 INSECT REPELLING COMPOSITIONS COMPRISING N-ALKYL NEOALKANAMIDE AND DEET COLGATE-PALMOLIVE COMPANY (US) 1997-12-18 WO disclosed
US-5610194-A SYNERGISTIC COLGATE-PALMOLIVE COMPANY (US) 1997-03-11 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 (2 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-20190151403-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF MALT1, MYLK2, FKBP1B ALDH1A1 2805/4885CHRNB2 3201/4885CHRNB4 4211/4885
US-20240268381-A1 Agricultural Chemical Formulation ACMSD, NOTUM, PFAS ALDH1A1 1340/4885CHRNB2 4426/4885CHRNB4 4559/4885

“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.