SCHEMBL4397735

SCHEMBL4397735

O=C1OC=CC1(c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.34
GOPC Q9HD26 1/20 0.34
LMNA P02545 1/20 0.34
CYP2C9 P11712 2/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CACNA1F O60840 1/20 0.32
HTR2A P28223 1/20 0.32
HRH1 P35367 1/20 0.32
SCN1A P35498 1/20 0.32
SCN4A P35499 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
CACNA1D Q01668 1/20 0.32

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
SCHEMBL8783063 0.75 MMP2 (0.38) CFTRGOPCCHRM2CHRM4SMN1; SMN2
SCHEMBL25366741 0.69 LMNA (0.36) CFTRGOPCLMNACYP2C9MAPT
SCHEMBL25366744 0.69 LMNA (0.36) CFTRGOPCLMNACYP2C9MAPT
SCHEMBL3530372 0.64 ALDH1A1 (0.36) LMNAMEN1KMT2AALDH1A1
SCHEMBL7635908 0.64 CFTR (0.56) CFTRGOPCLMNACYP2C9CHRM2
SCHEMBL3641710 0.64 BACE1 (0.33) CFTRGOPCLMNACYP2C9SMN1; SMN2
SCHEMBL9846603 0.63 MMP2 (0.34) CFTRGOPCCYP2C9CHRM2CHRM4
SCHEMBL11469864 0.62 CFTR (0.39) CFTRGOPCLMNACYP2C9CHRM2
SCHEMBL9304904 0.62 CFTR (0.54) CFTRGOPCLMNACYP2C9CHRM2
SCHEMBL11881667 0.61 MMP2 (0.41) CFTRGOPCCYP2C9CHRM2CHRM4

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
US-20090306134-A1 Muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2009-12-10 US disclosed
US-7456203-B2 Muscarinic receptor antagonists THERAVANCE, INC. (US) 2008-11-25 US disclosed
US-20040110229-A1 Muscarinic receptor antagonists PNC BANK, NATIONAL ASSOCIATION 2004-06-10 US disclosed
US-6693202-B1 MULTIBINDING LIGANDS CONTAINING SUCH AS AMINE, AMIDE, ESTER, HYDROXYL, CARBAMATE, UREA AND/OR IMINO FUNCTIONALITY THERAVANCE, INC. 2004-02-17 US disclosed
EP-1086066-A4 MUSCARINIC RECEPTOR ANTAGONISTS ADVANCED MEDICINE INC (US) 2001-08-08 EP disclosed
EP-1086066-A1 MUSCARINIC RECEPTOR ANTAGONISTS Advanced Medicine, Inc. (US) 2001-03-28 EP disclosed
WO-1999064043-A9 MUSCARINIC RECEPTOR ANTAGONISTS ADVANCED MEDICINE INC (US) 2000-03-02 WO disclosed
WO-1999064043-A1 MUSCARINIC RECEPTOR ANTAGONISTS ADVANCED MEDICINE, INC. (US) 1999-12-16 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 (2 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-20040110229-A1 Muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 CFTR 221/4885GOPC 1413/4885LMNA 4772/4885
US-20090306134-A1 Muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 CFTR 221/4885GOPC 1413/4885LMNA 4772/4885

“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.