SCHEMBL6428849

SCHEMBL6428849

CCC1(C)OC(=O)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
CFTR P13569 1/20 0.47
GOPC Q9HD26 1/20 0.47
NPSR1 Q6W5P4 6/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
LMNA P02545 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
RECQL P46063 1/20 0.42
POLB P06746 3/20 0.42
MAPT P10636 3/20 0.42
CYP3A4 P08684 3/20 0.42
GPR55 Q9Y2T6 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ESR1 P03372 1/20 0.42
TP53 P04637 1/20 0.42
TYMS P04818 1/20 0.42

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
SCHEMBL12969896 0.84 SMN1; SMN2 (0.45) SMN1; SMN2CFTRGOPCNPSR1CYP2C9
SCHEMBL4079140 0.83 CFTR (0.46) SMN1; SMN2CFTRGOPCNPSR1CYP2C9
SCHEMBL6739516 0.78 SMN1; SMN2 (0.50) SMN1; SMN2CFTRGOPCNPSR1CYP2C9
SCHEMBL22452138 0.78 UTS2R (0.49) SMN1; SMN2CFTRGOPCNPSR1CYP2C9
SCHEMBL12960642 0.76 ATM (0.49) SMN1; SMN2CFTRGOPCNPSR1CYP2C9
SCHEMBL9502317 0.76 SMN1; SMN2 (0.47) SMN1; SMN2CFTRGOPCNPSR1CYP2C9
SCHEMBL361852 0.75 CFTR (0.53) SMN1; SMN2CFTRGOPCNPSR1CYP2C9
SCHEMBL29672587 0.75 CFTR (0.53) SMN1; SMN2CFTRGOPCNPSR1CYP2C9
SCHEMBL22343694 0.74 CFTR (0.48) SMN1; SMN2CFTRGOPCNPSR1CYP2C9
SCHEMBL28420767 0.74 NPSR1 (0.37) SMN1; SMN2NPSR1CYP2C9CYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9783529-B2 Pyridazinone compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2017-10-10 US disclosed
US-20050104233-A1 Method of substituent introduction through halogen-metal exchange reaction BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-05-19 US disclosed
EP-1510510-A1 METHOD OF SUBSTITUENT INTRODUCTION THROUGH HALOGEN-METAL EXCHANGE REACTION BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-03-02 EP disclosed
EP-0306096-B1 PROCESS FOR PREPARING DIPHENYL ETHERS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-06-09 EP disclosed
EP-0310187-B1 PROCESS FOR PREPARING DIPHENYL ETHERS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-06-02 EP disclosed
US-5183907-A Process for preparing diphenyl ethers SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1993-02-02 US disclosed
US-4927945-A Process for preparing diphenyl ethers SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ, B.V. (NL) 1990-05-22 US disclosed
EP-0310187-A2 Process for preparing diphenyl ethers SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-04-05 EP disclosed
EP-0306096-A1 Process for preparing diphenyl ethers SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-03-08 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-20050104233-A1 Method of substituent introduction through halogen-metal exchange reaction SLC39A11, SLC30A6, SLC39A3 SMN1; SMN2 3786/4885CFTR 4132/4885GOPC 2238/4885

“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.