SCHEMBL13640734

SCHEMBL13640734

Cc1ccc(C(=O)Cc2ccc(O)cc2)c(O)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.75
SHBG P04278 1/20 0.75
ESR2 Q92731 1/20 0.75
LMNA P02545 6/20 0.62
MAPT P10636 5/20 0.62
RAB9A P51151 4/20 0.62
NPC1 O15118 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
HTT P42858 3/20 0.62
GAA P10253 1/20 0.62
ALOX12 P18054 1/20 0.62
ALDH1A1 P00352 4/20 0.61
HPGD P15428 3/20 0.61
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.61
CYP3A4 P08684 1/20 0.61
ATM Q13315 1/20 0.61
ALOX5 P09917 1/20 0.54
HSP90AB1 P08238 1/20 0.50
KDM4E B2RXH2 3/20 0.49

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
SCHEMBL13966006 0.93 ESR1 (0.64) ESR1SHBGESR2LMNAMAPT
SCHEMBL38652384 0.90 ESR1 (0.81) ESR1SHBGESR2LMNAMAPT
SCHEMBL3820741 0.90 ESR1 (0.81) ESR1SHBGESR2LMNAMAPT
SCHEMBL17637167 0.87 LMNA (0.72) ESR1SHBGESR2LMNAMAPT
SCHEMBL30503014 0.86 ESR1 (1.00) ESR1SHBGESR2LMNAMAPT
SCHEMBL312243 0.86 ESR1 (1.00) ESR1SHBGESR2LMNAMAPT
SCHEMBL9474352 0.83 ALOX5 (0.74) ESR1SHBGESR2LMNAMAPT
SCHEMBL38652442 0.81 NPC1 (0.76) ESR1SHBGESR2LMNAMAPT
SCHEMBL3817844 0.81 NPC1 (0.76) ESR1SHBGESR2LMNAMAPT
SCHEMBL4731182 0.81 NPC1 (0.86) ESR1SHBGESR2LMNAMAPT

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-8742141-B2 Inhibition and treatment of prostate cancer metastasis NORTHWESTERN UNIVERSITY (US) 2014-06-03 US disclosed
US-20130296582-A1 INHIBITION AND TREATMENT OF PROSTATE CANCER METASTASIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-11-07 US disclosed
US-20120283313-A1 INHIBITION AND TREATMENT OF PROSTATE CANCER METASTASIS NORTHWESTERN UNIVERSITY (US) 2012-11-08 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-20130296582-A1 INHIBITION AND TREATMENT OF PROSTATE CANCER METASTASIS MAPK4, MAP4K4, MAP3K4 ESR1 872/4885SHBG 2937/4885ESR2 1564/4885
US-20120283313-A1 INHIBITION AND TREATMENT OF PROSTATE CANCER METASTASIS MAPK4, MAP4K4, MAP3K4 ESR1 872/4885SHBG 2937/4885ESR2 1564/4885

“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.