SCHEMBL9147271

SCHEMBL9147271

O=C1c2ccccc2OC1Cc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.65
MAOB P27338 3/20 0.57
SIGMAR1 Q99720 6/20 0.44
HTR1A P08908 2/20 0.44
PGR P06401 1/20 0.43
PARP1 P09874 1/20 0.42
CYP19A1 P11511 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
AR P10275 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CTRB1 P17538 1/20 0.41
RET P07949 1/20 0.41
KDR P35968 1/20 0.41
ABCB1 P08183 1/20 0.40
FASN P49327 1/20 0.40
GRM2 Q14416 1/20 0.38

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
SCHEMBL8126786 0.77 ABCB1 (0.53) STK17BMAOBCYP19A1KDM4EAR
SCHEMBL10513412 0.77 STK17B (0.51) STK17BMAOBPARP1CYP19A1KDM4E
SCHEMBL21083145 0.76 STK17B (0.64) STK17BMAOBKDM4EKDR
SCHEMBL7629569 0.76 CTRB1 (0.53) MAOBCTRB1FASNGRM2
SCHEMBL28566206 0.75 LTB4R (0.45) STK17BMAOBSIGMAR1HTR1APGR
SCHEMBL8056054 0.74 ALDH1A1 (0.55) MAOBKDM4EHSD17B10CTRB1FASN
SCHEMBL2858795 0.74 CTRB1 (0.52) MAOBCTRB1FASNGRM2
SCHEMBL5728556 0.74 MAOB (0.53) STK17BMAOBSIGMAR1HTR1APARP1
Fluoride SCHEMBL28653361 0.73 ALDH1A1 (0.54) MAOBKDM4EHSD17B10CTRB1
SCHEMBL5670687 0.73 ALDH1A1 (0.56) PARP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110165099-A1 Oxidation Resistant Dentifrice Compositions ARVANITIDOU EVANGELIA S 2011-07-07 US disclosed
EP-1251818-B9 GALENIC FORMULATION MERCK PATENT GMBH (DE) 2009-01-07 EP disclosed
EP-1251818-B1 GALENIC FORMULATION MERCK PATENT GMBH (DE) 2008-07-02 EP disclosed
US-5459139-A Antitumor agents, anticholesterol agents, antiestrogens, treatment of breast cancer NATIONAL UNIVERSITY OF SINGAPORE (SG) 1995-10-17 US disclosed
US-5354861-A Binds to antiestrogen binding sites; antiproliferative activity NATIONAL UNIVERSITY OF SINGAPORE (SG) 1994-10-11 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 (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-20110165099-A1 Oxidation Resistant Dentifrice Compositions DNMT1, DNMT3A, CAT STK17B 3787/4885MAOB 3569/4885SIGMAR1 2574/4885

“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.