SCHEMBL4572609

SCHEMBL4572609

CCSc1cc(C)oc1C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 3/20 0.34
CXCR2 P25025 1/20 0.33
ALOX15 P16050 1/20 0.33
LMNA P02545 1/20 0.32
NQO1 P15559 1/20 0.32
AOC3 Q16853 1/20 0.31
ALOX5 P09917 1/20 0.31
ELANE P08246 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
SCHEMBL11686616 0.83 KDM4E (0.32) ALDH1A1KDM4EMAPK1SMN1; SMN2RAB9A
SCHEMBL424992 0.79 NPC1 (0.37) ALDH1A1KDM4ESMN1; SMN2RAB9AMEN1
SCHEMBL11622877 0.78 KDM4E (0.33) ALDH1A1KDM4EMAPK1SMN1; SMN2RAB9A
SCHEMBL5163702 0.75 NQO1 (0.38) KDM4ERAB9AMEN1KMT2AMAPT
SCHEMBL3508454 0.75 NQO1 (0.38) KDM4ERAB9AMEN1KMT2AMAPT
SCHEMBL9566163 0.74 RAB9A (0.44) KDM4ERAB9AMAPTALOX15ALOX5
SCHEMBL4572610 0.73
SCHEMBL11621777 0.71
SCHEMBL11620219 0.71 KDM4E (0.31) KDM4EMAPT
SCHEMBL10541202 0.68 AOC3 (0.41) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT

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-20130303466-A1 Chemosensory Receptor Ligand-Based Therapies ELCELYX THERAPEUTICS, INC. (US) 2013-11-14 US disclosed
US-20130303466-A1 Chemosensory Receptor Ligand-Based Therapies ELCELYX THERAPEUTICS, INC. (US) 2013-11-14 US disclosed
WO-2012054527-A2 CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES ELCELYX THERAPEUTICS, INC. (US) 2012-04-26 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-20130303466-A1 Chemosensory Receptor Ligand-Based Therapies GPR119, TAS1R2, TAS2R1 ALDH1A1 796/4885KDM4E 4693/4885MAPK1 2616/4885

“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.