SCHEMBL20076307

SCHEMBL20076307

CCCC(C)(CCC)CCCC(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
HSD17B10 Q99714 2/20 0.44
LMNA P02545 1/20 0.44
DGKA P23743 1/20 0.42
NR1I2 O75469 1/20 0.42
PGR P06401 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
PTGS2 P35354 1/20 0.42
PDE4D Q08499 1/20 0.42
GAA P10253 2/20 0.42
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PAM P19021 2/20 0.39
TRPA1 O75762 1/20 0.39

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
SCHEMBL20076483 0.85 CYP1A2 (0.48) CYP1A2HSD17B10LMNADGKANR1I2
SCHEMBL20076474 0.82 DGKA (0.50) CYP1A2LMNADGKAGAAALDH1A1
SCHEMBL8165697 0.82 CYP1A2 (0.57) CYP1A2HSD17B10DGKANR1I2PGR
SCHEMBL21015257 0.81 CYP1A2 (0.52) CYP1A2HSD17B10LMNADGKANR1I2
SCHEMBL27688408 0.80 CYP1A2 (0.47) CYP1A2HSD17B10DGKANR1I2PGR
SCHEMBL20076183 0.80 MAPT (0.47) CYP1A2LMNADGKAGAAALDH1A1
SCHEMBL27526995 0.80 CYP1A2 (0.55) CYP1A2HSD17B10DGKANR1I2PGR
SCHEMBL16358138 0.78 CYP1A2 (0.53) CYP1A2HSD17B10DGKANR1I2PGR
SCHEMBL29750121 0.78 CYP1A2 (0.53) CYP1A2HSD17B10DGKANR1I2PGR
SCHEMBL18642720 0.78 CYP1A2 (0.59) CYP1A2HSD17B10DGKANR1I2PGR

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 CYP1A2 805/4885HSD17B10 665/4885LMNA 2857/4885
US-20180105558-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 CYP1A2 1223/4885HSD17B10 721/4885LMNA 3497/4885

“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.