SCHEMBL19861337

SCHEMBL19861337

CCOC(=O)CCCCCC(C)(C)CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
GAA P10253 2/20 0.49
TDP1 Q9NUW8 3/20 0.46
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 2/20 0.46
TSHR P16473 2/20 0.46
CYP3A4 P08684 1/20 0.46
HSD17B10 Q99714 1/20 0.46
DGKA P23743 1/20 0.46
CYP4F2 P78329 3/20 0.43
CYP4A11 Q02928 3/20 0.43
USP2 O75604 1/20 0.42
PAM P19021 2/20 0.42
KMT2A Q03164 2/20 0.41
NR1I2 O75469 1/20 0.41
PGR P06401 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
PTGS2 P35354 1/20 0.41
PDE4D Q08499 1/20 0.41
MGAM O43451 1/20 0.40

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
SCHEMBL16358138 0.92 CYP1A2 (0.53) CYP1A2GAATDP1ALDH1A1ALOX15
SCHEMBL21015257 0.87 CYP1A2 (0.52) CYP1A2GAATDP1ALDH1A1ALOX15
SCHEMBL19034636 0.87 ALDH1A1 (0.46) CYP1A2GAATDP1ALDH1A1ALOX15
SCHEMBL15183505 0.85 CYP1A2 (0.53) CYP1A2GAATDP1ALDH1A1ALOX15
SCHEMBL10250453 0.85 CYP1A2 (0.53) CYP1A2GAATDP1ALDH1A1ALOX15
SCHEMBL15183507 0.85 CYP1A2 (0.53) CYP1A2GAATDP1ALDH1A1ALOX15
SCHEMBL12933282 0.85 CYP1A2 (0.53) CYP1A2GAATDP1ALDH1A1ALOX15
SCHEMBL15183506 0.85 CYP1A2 (0.53) CYP1A2GAATDP1ALDH1A1ALOX15
SCHEMBL19861446 0.84 DGKA (0.53) CYP1A2GAAALDH1A1TSHRDGKA
SCHEMBL27940048 0.83 CYP1A2 (0.52) CYP1A2GAATDP1ALDH1A1ALOX15

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 3 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
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 (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 805/4885GAA 1421/4885TDP1 1241/4885
US-20180105558-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 CYP1A2 1223/4885GAA 1510/4885TDP1 1618/4885

“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.