SCHEMBL3261390

SCHEMBL3261390

CCCCCc1c(Cc2ccccc2)oc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.59
MTNR1B P49286 7/20 0.59
PTPN1 P18031 6/20 0.54
ABCB1 P08183 1/20 0.45
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43

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
SCHEMBL11218137 0.86 PTPN1 (0.57) PTPN1ABCB1
SCHEMBL11050071 0.84 PTPN1 (0.49) MTNR1AMTNR1BPTPN1
SCHEMBL13986657 0.83 MTNR1A (0.58) MTNR1AMTNR1BPTPN1ABCB1
SCHEMBL4808177 0.76 PTPN1 (0.53) MTNR1AMTNR1BPTPN1ABCB1
SCHEMBL669127 0.76 PTPN1 (0.54) MTNR1AMTNR1BPTPN1
SCHEMBL5764063 0.76 PTPN1 (0.83) PTPN1
SCHEMBL2985777 0.76 PTPN1 (0.53) PTPN1
SCHEMBL14387039 0.75 PTPN1 (0.50) PTPN1
SCHEMBL6528889 0.75 TLR8 (0.48) PTPN1
SCHEMBL13049676 0.75 PTPN1 (0.55) PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5354861-A Binds to antiestrogen binding sites; antiproliferative activity NATIONAL UNIVERSITY OF SINGAPORE (SG) 1994-10-11 US claimed
US-20100267822-A1 AURONES AS ESTROGEN RECEPTOR MODULATORS AND THEIR USE IN SEX HORMONE DEPENDENT DISEASES BIOTROPICS MALAYSIA BERHAD (MY) 2010-10-21 US disclosed
WO-2010110647-A1 AURONES AS ESTROGEN RECEPTOR MODULATORS AND THEIR USE IN SEX HORMONE DEPENDENT DISEASES BIOTROPICS MALAYSIA BERHAD (MY) 2010-09-30 WO disclosed
EP-0838461-B1 Substituted 2,3-aryl-benzothiophene compounds having estrogenic activity LILLY CO ELI (US) 2003-09-03 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-5459139-A Antitumor agents, anticholesterol agents, antiestrogens, treatment of breast cancer NATIONAL UNIVERSITY OF SINGAPORE (SG) 1995-10-17 US 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
US-5354861-A Binds to antiestrogen binding sites; antiproliferative activity NATIONAL UNIVERSITY OF SINGAPORE (SG) 1994-10-11 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-20100267822-A1 AURONES AS ESTROGEN RECEPTOR MODULATORS AND THEIR USE IN SEX HORMONE DEPENDENT DISEASES SHBG, GPER1, ESR2 MTNR1A 129/4885MTNR1B 317/4885PTPN1 3943/4885

“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.