SCHEMBL19861311

SCHEMBL19861311

CCCCCCCC(C)(CCCCCC)CC(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.56
FFAR1 O14842 2/20 0.56
CPT2 P23786 1/20 0.56
GPR84 Q9NQS5 7/20 0.48
PPARG P37231 7/20 0.48
PPARD Q03181 7/20 0.48
PPARA Q07869 7/20 0.48
HDAC11 Q96DB2 5/20 0.48
TSHR P16473 4/20 0.48
PTPN1 P18031 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TLR2 O60603 2/20 0.48
FABP4 P15090 2/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48
MEN1 O00255 1/20 0.48
ESR1 P03372 1/20 0.48
ALOX15 P16050 1/20 0.48
PDE4A P27815 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL2348425 1.00 TDP1 (0.56) TDP1FFAR1CPT2GPR84PPARG
SCHEMBL18852720 1.00 TDP1 (0.56) TDP1FFAR1CPT2GPR84PPARG
SCHEMBL19658046 1.00 TDP1 (0.56) TDP1FFAR1CPT2GPR84PPARG
SCHEMBL22877776 1.00 TDP1 (0.56) TDP1FFAR1CPT2GPR84PPARG
SCHEMBL20076430 0.98 TDP1 (0.54) TDP1FFAR1CPT2GPR84PPARG
SCHEMBL10776763 0.98 TDP1 (0.52) TDP1FFAR1CPT2GPR84PPARG
SCHEMBL5879093 0.92 TDP1 (0.52) TDP1FFAR1CPT2GPR84PPARG
SCHEMBL9569903 0.92 TDP1 (0.52) TDP1FFAR1CPT2GPR84PPARG
SCHEMBL5879090 0.92 TDP1 (0.52) TDP1FFAR1CPT2GPR84PPARG
SCHEMBL5878829 0.92 TDP1 (0.52) TDP1FFAR1CPT2GPR84PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210008045-A1 PANICINOTAM DERIVATIVE, PREPARATION METHOD AND USE THEREOF OCEAN UNIVERSITY OF CHINA (CN) 2021-01-14 US disclosed
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
US-9890198-B2 Cyclosporin derivatives and uses thereof S&T GLOBAL INC. (US) 2018-02-13 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 (3 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 TDP1 1241/4885FFAR1 3040/4885CPT2 769/4885
US-20210008045-A1 PANICINOTAM DERIVATIVE, PREPARATION METHOD AND USE THEREOF TPMT, PBRM1, PGM2 TDP1 1723/4885FFAR1 1570/4885CPT2 1410/4885
US-20180105558-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 TDP1 1618/4885FFAR1 2686/4885CPT2 848/4885

“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.