SCHEMBL15988656

SCHEMBL15988656

COc1c(C)cc2c(c1OC)OCCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
PLK1 P53350 1/20 0.40
POLB P06746 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GSK3B P49841 2/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ATR Q13535 1/20 0.33
CNKSR1 Q969H4 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
OPRK1 P41145 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
SCHEMBL4942498 0.85 POLB (0.50) SMN1; SMN2POLBALDH1A1CYP1A2CYP2D6
SCHEMBL19346092 0.84 SMN1; SMN2 (0.42) SMN1; SMN2PLK1POLBALDH1A1KDM4E
SCHEMBL15979632 0.81 AKR1B1 (0.36) SMN1; SMN2PLK1POLBALDH1A1KDM4E
SCHEMBL15988653 0.78 POLB (0.44) PLK1POLBALDH1A1KDM4ETDP1
SCHEMBL14040992 0.77 SMN1; SMN2 (0.41) SMN1; SMN2PLK1ALDH1A1KDM4EHPGD
SCHEMBL19341276 0.77 PLK1 (0.37) SMN1; SMN2PLK1POLBALDH1A1KDM4E
SCHEMBL15988784 0.74 KDM4E (0.50) SMN1; SMN2PLK1POLBALDH1A1KDM4E
SCHEMBL15979639 0.74 PLK1 (0.35) SMN1; SMN2PLK1POLBALDH1A1KDM4E
SCHEMBL10044947 0.73 PLK1 (0.40) SMN1; SMN2PLK1POLBALDH1A1KDM4E
SCHEMBL15988655 0.73 CYP3A4 (0.46) SMN1; SMN2PLK1POLBALDH1A1KDM4E

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-9795550-B2 Gamma-diketones for treatment and prevention of aging skin and wrinkles SAMUMED, LLC (US) 2017-10-24 US disclosed
US-20170260176-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS MED-PATHWAYS II LIMITED (VG) 2017-09-14 US disclosed
US-20160206540-A1 GAMMA-DIKETONES FOR TREATMENT AND PREVENTION OF AGING SKIN AND WRINKLES VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2016-07-21 US disclosed
WO-2014130869-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS SAMUMED, LLC (US) 2014-08-28 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 (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-20170260176-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS GSK3A, GSK3B, WNT1 SMN1; SMN2 1829/4885PLK1 397/4885POLB 168/4885
US-20160206540-A1 GAMMA-DIKETONES FOR TREATMENT AND PREVENTION OF AGING SKIN AND WRINKLES GLA, DGKG, DGKA SMN1; SMN2 4122/4885PLK1 1039/4885POLB 875/4885

“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.