SCHEMBL910647

SCHEMBL910647

CC1CCC(C(C)C)C(OC(=O)c2ccccc2C(=O)OC2CCCC(C)(C(C)C)C2)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
HPGD P15428 3/20 0.60
ACLY P53396 1/20 0.45
NPSR1 Q6W5P4 4/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.42
GAA P10253 1/20 0.42
CYP19A1 P11511 2/20 0.41
TSHR P16473 1/20 0.41
P2RX4 Q99571 1/20 0.41
LMNA P02545 3/20 0.40
EPHX1 P07099 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MEN1 O00255 2/20 0.38

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
SCHEMBL11692280 0.83 EPHX1 (0.49) ALDH1A1HPGDNPSR1KDM4EMAPT
SCHEMBL28473708 0.83 ALDH1A1 (0.83) ALDH1A1HPGDACLYNPSR1KDM4E
SCHEMBL7194613 0.81 EPHX1 (0.44) ALDH1A1HPGDNPSR1KDM4EMAPT
SCHEMBL18813004 0.79 LMNA (0.54) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL910646 0.79 ALDH1A1 (0.76) ALDH1A1HPGDACLYNPSR1KDM4E
SCHEMBL1285793 0.79 ALDH1A1 (0.76) ALDH1A1HPGDACLYNPSR1KDM4E
SCHEMBL1286101 0.79 ALDH1A1 (0.76) ALDH1A1HPGDACLYNPSR1KDM4E
SCHEMBL21119055 0.79 ALDH1A1 (0.76) ALDH1A1HPGDACLYNPSR1KDM4E
SCHEMBL29881864 0.79 ALDH1A1 (0.76) ALDH1A1HPGDACLYNPSR1KDM4E
SCHEMBL2639943 0.79 ALDH1A1 (0.76) ALDH1A1HPGDACLYNPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2260029-B1 PREPARATION OF MORPHOLINE DERIVATIVES SANDOZ AG (CH) 2014-10-01 EP claimed
US-20110009629-A1 PREPARATION OF MORPHOLINE DERIVATIVES SANDOZ AG (CH) 2011-01-13 US claimed
EP-2260029-A1 PREPARATION OF MORPHOLINE DERIVATIVES Sandoz AG (CH) 2010-12-15 EP claimed
WO-2009106486-A1 PREPARATION OF MORPHOLINE DERIVATIVES SANDOZ AG (CH) 2009-09-03 WO claimed
EP-2260029-B1 PREPARATION OF MORPHOLINE DERIVATIVES SANDOZ AG (CH) 2014-10-01 EP disclosed
US-20110009629-A1 PREPARATION OF MORPHOLINE DERIVATIVES SANDOZ AG (CH) 2011-01-13 US disclosed
EP-2260029-A1 PREPARATION OF MORPHOLINE DERIVATIVES Sandoz AG (CH) 2010-12-15 EP disclosed
WO-2009106486-A1 PREPARATION OF MORPHOLINE DERIVATIVES SANDOZ AG (CH) 2009-09-03 WO 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 (1 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-20110009629-A1 PREPARATION OF MORPHOLINE DERIVATIVES OPRK1, TACR1, CMA1 ALDH1A1 1063/4885HPGD 356/4885ACLY 4864/4885

“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.