SCHEMBL4870023

SCHEMBL4870023

COC(=O)c1cc(C(F)(F)F)cc(OCc2ccccc2)c1OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
PTPN1 P18031 6/20 0.52
PTPN6 P29350 4/20 0.52
PTPN2 P17706 3/20 0.52
MRGPRX4 Q96LA9 3/20 0.49
LRRK2 Q5S007 3/20 0.48
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48
PTPRC P08575 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL25358124 0.88 MRGPRX4 (0.50) LMNAHPGDPTPN1PTPN6PTPN2
SCHEMBL427348 0.81 MRGPRX4 (0.50) LMNAHPGDPTPN1PTPN6PTPN2
SCHEMBL16096871 0.79 LMNA (0.50) LMNAHPGDPTPN1PTPN6PTPN2
SCHEMBL30141003 0.79 LMNA (0.56) LMNAHPGDMRGPRX4FFAR4USP2
SCHEMBL24983669 0.79 LMNA (0.56) LMNAHPGDMRGPRX4FFAR4USP2
SCHEMBL13662895 0.78 LMNA (0.58) LMNAHPGDFFAR4USP2ALDH1A1
SCHEMBL9756722 0.78 LMNA (0.52) LMNAHPGDPTPN1PTPN6PTPN2
SCHEMBL1305662 0.78 HPGD (0.57) LMNAHPGDUSP2ALDH1A1TSHR
SCHEMBL31291004 0.77 RXRA (0.52) PTPN1PTPN6PTPN2MRGPRX4LRRK2
SCHEMBL25358389 0.77 RXRA (0.52) PTPN1PTPN6PTPN2MRGPRX4LRRK2

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-7319101-B2 COMT inhibitors for the treatment of depression and impaired cognition HOFFMANN-LA ROCHE INC. (US) 2008-01-15 US disclosed
US-7319101-B2 COMT inhibitors for the treatment of depression and impaired cognition HOFFMANN-LA ROCHE INC. (US) 2008-01-15 US disclosed
US-7319101-B2 COMT inhibitors for the treatment of depression and impaired cognition HOFFMANN-LA ROCHE INC. (US) 2008-01-15 US disclosed
EP-1697394-B1 COMT INHIBITORS HOFFMANN LA ROCHE (CH) 2007-03-21 EP disclosed
EP-1697394-B1 COMT INHIBITORS HOFFMANN LA ROCHE (CH) 2007-03-21 EP disclosed
EP-1697394-A2 COMT INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2006-09-06 EP disclosed
WO-2005058228-A2 COMT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO disclosed
WO-2005058228-A2 COMT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO disclosed
US-20050137162-A1 New COMT inhibitors for the treatment of depression and impaired cognition F. HOFFMANN-LA ROCHE AG (CH) 2005-06-23 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-20050137162-A1 New COMT inhibitors for the treatment of depression and impaired cognition COMT, MAOB, TPH1 LMNA 4305/4885HPGD 544/4885PTPN1 2629/4885

“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.