SCHEMBL20076396

SCHEMBL20076396

CCCCC(C)(C)CCCC(=O)CCO

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
NAAA Q02083 1/20 0.36
CES2 O00748 5/20 0.34
CES1 P23141 5/20 0.34
ALDH1A1 P00352 3/20 0.33
HAO1 Q9UJM8 1/20 0.33
FFAR1 O14842 1/20 0.33
CPT2 P23786 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FAAH O00519 1/20 0.32
AKR1B1 P15121 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL20076318 0.92 MAPT (0.47) MAPTKMT2ANAAACES2CES1
SCHEMBL8895814 0.90 MAPT (0.45) MAPTKMT2ACES2CES1ALDH1A1
SCHEMBL3280838 0.83 FFAR1 (0.38) MAPTKMT2AFFAR1CPT2TDP1
SCHEMBL13387743 0.83 CYP4F2 (0.38) MAPTKMT2AALDH1A1FFAR1CPT2
SCHEMBL8899335 0.82 KMT2A (0.47) MAPTKMT2ACES2CES1ALDH1A1
SCHEMBL8898144 0.82 KMT2A (0.52) MAPTKMT2ACES2CES1ALDH1A1
SCHEMBL3279852 0.81 FFAR1 (0.37) MAPTKMT2AFFAR1CPT2TDP1
SCHEMBL94904 0.80
SCHEMBL15183711 0.79 MAPT (0.32) MAPTKMT2A
SCHEMBL9385485 0.78 CES1 (0.50) MAPTKMT2ANAAACES2CES1

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-10647747-B2 Cyclosporin derivatives and uses thereof S&T GLOBAL INC. (US) 2020-05-12 US disclosed
US-20180105558-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. 2018-04-19 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-10647747-B2 Cyclosporin derivatives and uses thereof FKBP5, FKBP1B, MALT1 MAPT 1415/4885KMT2A 4492/4885NAAA 4715/4885
US-20180105558-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 MAPT 1874/4885KMT2A 4495/4885NAAA 4743/4885

“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.