SCHEMBL459785

SCHEMBL459785

COC(=O)C1=CC(C)CC2CC(C)(C)C=C12

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ADORA2B P29275 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL17145407 1.00 SLC6A3 (0.32) SLC6A3ALDH1A1KDM4EMEN1CYP1A2
SCHEMBL818821 0.74 TSHR (0.35) SLC6A3ALDH1A1KDM4ETDP1ATM
SCHEMBL460975 0.74 SLC6A3 (0.32) SLC6A3
SCHEMBL461375 0.71 ATM (0.36) SLC6A3ALDH1A1MEN1KMT2AATM
SCHEMBL17145405 0.71 ATM (0.36) SLC6A3ALDH1A1MEN1KMT2AATM
SCHEMBL17145406 0.69 PSEN1 (0.34) SLC6A3KDM4E
SCHEMBL459862 0.69 PSEN1 (0.34) SLC6A3KDM4E
SCHEMBL459352 0.65 ATM (0.40) SLC6A3ALDH1A1ATM
SCHEMBL17145432 0.65 ATM (0.40) SLC6A3ALDH1A1ATM
SCHEMBL819397 0.61 CHRM3 (0.35) ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150531-B2 Tricyclic lactones for treatment of cancer GLACTONE PHARMA DEVELOPMENT AB (SE) 2015-10-06 US disclosed
EP-2595972-B1 TRICYCLIC LACTONES FOR TREATMENT OF CANCER GLACTONE PHARMA DEV AB (SE) 2015-08-19 EP disclosed
US-20130310451-A1 TRICYCLIC LACTONES FOR TREATMENT OF CANCER GLACTONE PHARMA DEVELOPMENT AB (SE) 2013-11-21 US disclosed
EP-2595972-A1 TRICYCLIC LACTONES FOR TREATMENT OF CANCER Glactone Pharma Development AB (SE) 2013-05-29 EP disclosed
WO-2012010555-A1 TRICYCLIC LACTONES FOR TREATMENT OF CANCER PARTNERS FÖR UTVECKLINGSINVESTERINGAR INOM LIFE SCIENCES, P.U.L.S. AB (SE) 2012-01-26 WO disclosed
WO-2012011864-A1 BICYCLIC COMPOUNDS AND PROCESS FOR PREPARATION PARTNERS FÖR UTVECKLINGSINVESTERINGAR INOM LIFE SCIENCES, P.U.L.S. AB (SE) 2012-01-26 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-20130310451-A1 TRICYCLIC LACTONES FOR TREATMENT OF CANCER STAT3, IL6, STAT6 SLC6A3 4792/4885ALDH1A1 3026/4885KDM4E 3972/4885

“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.