SCHEMBL20076191

SCHEMBL20076191

CCC(C)(C)CCCCCCOC

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 2/20 0.33
FFAR1 O14842 1/20 0.33
CPT2 P23786 1/20 0.33
LPAR3 Q9UBY5 3/20 0.31
LPAR1 Q92633 2/20 0.31
LPAR2 Q9HBW0 2/20 0.31
TSHR P16473 1/20 0.31
ARG1 P05089 1/20 0.30
ARG2 P78540 1/20 0.30

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
SCHEMBL16130817 1.00 ALDH1A1 (0.37) ALDH1A1TDP1FFAR1CPT2LPAR3
SCHEMBL12394753 0.90 ALDH1A1 (0.33) ALDH1A1TDP1TSHRARG1ARG2
SCHEMBL9750836 0.83 MEN1 (0.38) TDP1FFAR1CPT2TSHR
SCHEMBL18737001 0.82
SCHEMBL1836223 0.82 TDP1 (0.43) TDP1FFAR1CPT2TSHR
SCHEMBL7863984 0.82 TDP1 (0.43) TDP1FFAR1CPT2TSHR
SCHEMBL1834842 0.82 TDP1 (0.43) TDP1FFAR1CPT2TSHR
SCHEMBL27646888 0.81 FFAR1 (0.33) TDP1FFAR1CPT2
SCHEMBL9750723 0.80 MEN1 (0.34) TDP1FFAR1CPT2TSHR
SCHEMBL10000623 0.79

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 ALDH1A1 2350/4885TDP1 1241/4885FFAR1 3040/4885
US-20180105558-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 ALDH1A1 2376/4885TDP1 1618/4885FFAR1 2686/4885

“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.