SCHEMBL4563229

SCHEMBL4563229

C=CC[C@]1(CO)CCc2cc(O)ccc2O1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.43
ESR1 P03372 6/20 0.34
ESR2 Q92731 6/20 0.34
NR3C1 P04150 2/20 0.34
PGR P06401 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
XDH P47989 1/20 0.34
OPRM1 P35372 3/20 0.33
OPRD1 P41143 3/20 0.33
OPRK1 P41145 3/20 0.33
PTPN1 P18031 2/20 0.33
ENTPD5 O75356 2/20 0.33
CETP P11597 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
POLA1 P09884 1/20 0.32

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
SCHEMBL7600523 0.93 AKT1 (0.46) AKT1ESR1ESR2NR3C1PGR
SCHEMBL5846302 0.80 AKT1 (0.60) AKT1ESR1ESR2NR3C1PGR
SCHEMBL547117 0.72 SIGMAR1 (0.42)
SCHEMBL7787622 0.71 AKT1 (0.51) AKT1ESR1ESR2PTGS2PTPN1
SCHEMBL10824418 0.69 ESR2 (0.38) AKT1ESR1ESR2NR3C1PGR
SCHEMBL27526924 0.69 AKT1 (0.41) AKT1ESR1ESR2PTGS1PTGS2
SCHEMBL3184205 0.68 AKT1 (0.56) AKT1ESR1ESR2ENTPD5CETP
SCHEMBL30513267 0.68 AKT1 (0.56) AKT1ESR1ESR2ENTPD5CETP
SCHEMBL4475359 0.68 AKT1 (0.49) AKT1ESR1ESR2PTPN1ENTPD5
SCHEMBL6130742 0.67 AKT1 (0.42) AKT1ESR1ESR2PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8840883-B2 Metallo-protein and tocotrienol (MP-T3) compositions with non-protein-type metal chelator and uses thereof NAIDU LP (US) 2014-09-23 US disclosed
US-20130071372-A1 METALLO-PROTEIN AND TOCOTRIENOL (MP-T3) COMPOSITIONS WITH NON-PROTEIN-TYPE METAL CHELATOR AND USES THEREOF NAIDU LP (US) 2013-03-21 US disclosed
US-8309080-B2 Metallo-protein and tocotrienol (MP-T3) compositions and uses thereof NAIDU LP (US) 2012-11-13 US disclosed
US-20090148433-A1 METALLO-PROTEIN AND TOCOTRIENOL (MP-T3) COMPOSITIONS AND USES THEREOF NAIDU LP (US) 2009-06-11 US disclosed
WO-2005035490-A3 PROCESS FOR SYNTHESIZING d-TOCOTRIENOLS YASOO HEALTH INC (US) 2005-07-21 WO disclosed
US-20050124687-A1 Process for synthesizing d-tocotrienols COULADOUROS ELIAS A (GR) 2005-06-09 US disclosed
WO-2005035490-A2 PROCESS FOR SYNTHESIZING d-TOCOTRIENOLS YASOO HEALTH, INC. (US) 2005-04-21 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-20050124687-A1 Process for synthesizing d-tocotrienols UGT8, DDOST, GGPS1 AKT1 3679/4885ESR1 3170/4885ESR2 1735/4885

“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.