SCHEMBL6975263

SCHEMBL6975263

CNCCCCC1CCCCC1

nearest known ligand 0.96

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.96
CYP1A2 P05177 1/20 0.54
MAPT P10636 1/20 0.43
EPHX1 P07099 2/20 0.40
TNKS2 Q9H2K2 1/20 0.40
KDM5A P29375 2/20 0.38
PHF8 Q9UPP1 2/20 0.38
KDM2A Q9Y2K7 2/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM4A O75164 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
SCHEMBL26431397 1.00 SIGMAR1 (0.96) SIGMAR1CYP1A2MAPTEPHX1TNKS2
Hydrochloric Acid SCHEMBL9718246 0.98 SIGMAR1 (0.92) SIGMAR1CYP1A2MAPTEPHX1TNKS2
SCHEMBL8092983 0.98 SIGMAR1 (1.00) SIGMAR1CYP1A2MAPTEPHX1TNKS2
SCHEMBL6969290 0.98 SIGMAR1 (0.91) SIGMAR1CYP1A2MAPTEPHX1TNKS2
SCHEMBL27368119 0.93 SIGMAR1 (0.83) SIGMAR1CYP1A2MAPTEPHX1
SCHEMBL1859093 0.93 SIGMAR1 (0.83) SIGMAR1CYP1A2MAPTEPHX1
SCHEMBL19631563 0.91 SIGMAR1 (0.88) SIGMAR1CYP1A2MAPTEPHX1TNKS2
SCHEMBL22697176 0.91 SIGMAR1 (0.88) SIGMAR1CYP1A2MAPTEPHX1TNKS2
SCHEMBL1858791 0.91 SIGMAR1 (0.79) SIGMAR1CYP1A2MAPTEPHX1
SCHEMBL6962219 0.88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4206325-A1 NOVEL NUCLEIC ACID MOLECULE INHIBITING EXPRESSION OF TARGET GENE BONAC CORPORATION (JP) 2023-07-05 EP disclosed
US-20120022070-A1 Heat Shock Protein 90 Inhibitors, Methods Of Preparing Same, And Methods For Their Use EMORY UNIVERSITY (US) 2012-01-26 US disclosed
EP-0870765-B1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARM CO LTD (JP) 2003-11-19 EP disclosed
US-5981557-A HAVING IMPROVING EFFECTS ON THE DYSMOTILITY IN THE GASTROINTESTINAL TRACT ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-11-09 US disclosed
EP-0870765-A1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed
US-5153327-A 7-Oxabicycloheptyl substituted heterocyclic amide or ester prostaglandin analogs useful in the treatment of thrombotic and vasospastic disease E. R. SQUIBB & SONS, INC. (US) 1992-10-06 US disclosed
US-5100889-A Thromboxane A2 receptor antagonists, thromboxane synthetase inhibitor E. R. SQUIBB & SONS, INC. (US) 1992-03-31 US disclosed
EP-0374952-A2 7-Oxabicycloheptyl substituted heterocyclic amide prostaglandin analogs useful in the treatment of thrombotic and vasospastic disease E.R. SQUIBB & SONS, INC. (US) 1990-06-27 EP 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-20120022070-A1 Heat Shock Protein 90 Inhibitors, Methods Of Preparing Same, And Methods For Their Use HSP90AB1, HSP90AA1, HSP90AB2P SIGMAR1 3928/4885CYP1A2 3967/4885MAPT 357/4885

“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.