SCHEMBL4771040

SCHEMBL4771040

CCCOC(=O)C1C=CC=CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.37
PTPN1 P18031 1/20 0.37
PPP1CC P36873 1/20 0.37
ALDH1A1 P00352 5/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
LMNA P02545 1/20 0.33
KDM4E B2RXH2 2/20 0.32
GLA P06280 1/20 0.32
CHRM1 P11229 2/20 0.32
ESR1 P03372 1/20 0.32
TSHR P16473 1/20 0.32
SLC6A2 P23975 1/20 0.32
KDR P35968 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31

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
SCHEMBL251713 0.90 ALDH1A1 (0.44) ALDH1A1HCAR2LMNAKDM4EESR1
SCHEMBL13969444 0.86 ALDH1A1 (0.37) PPM1BPTPN1PPP1CCALDH1A1LMNA
SCHEMBL14369814 0.83 GPR84 (0.31) GPR84
SCHEMBL2533154 0.81
SCHEMBL13947268 0.77 NFKB1 (0.37) MAPK1GPR84
SCHEMBL22042208 0.76 GPR84 (0.34) ALDH1A1TSHRMAPK1GPR84
SCHEMBL2118565 0.76 GPR84 (0.34) ALDH1A1TSHRMAPK1GPR84
SCHEMBL14394185 0.76 GPR84 (0.34) ALDH1A1TSHRMAPK1GPR84
SCHEMBL11422586 0.75 GPR84 (0.36) GPR84
SCHEMBL6325196 0.74 PPM1B (0.40) PPM1BPTPN1PPP1CCALDH1A1NPSR1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080027127-A1 Trans Pyrrolidinyl Derivates and Their Pharmaceutical Use FAUST PHARMACEUTICALS (FR) 2008-01-31 US disclosed
EP-1751099-A1 CIS PYRROLIDINYL DERIVATIVES AND THEIR USES Faust Pharmaceuticals (FR) 2007-02-14 EP disclosed
EP-1751098-A1 TRANS PYRROLIDINYL DERIVATIVES AND THEIR PHARMACEUTICAL USE Faust Pharmaceuticals (FR) 2007-02-14 EP disclosed
EP-1728511-A1 New use of phenethicillin and salts thereof. Faust Pharmaceuticals (FR) 2006-12-06 EP disclosed
WO-2005118533-A1 TRANS PYRROLIDINYL DERIVATIVES AND THEIR PHARMACEUTICAL USE FAUST PHARMACEUTICALS (FR) 2005-12-15 WO disclosed
WO-2005118534-A1 CIS PYRROLIDINYL DERIVATIVES AND THEIR USES FAUST PHARMACEUTICALS (FR) 2005-12-15 WO disclosed
EP-1604978-A1 Trans pyrrolidinyl derivatives and their pharmaceutical uses Faust Pharmaceuticals (FR) 2005-12-14 EP disclosed
EP-1604977-A1 CIS pyrrolidinyl derivatives and their uses Faust Pharmaceuticals (FR) 2005-12-14 EP disclosed
EP-0621865-B1 RAPAMYCIN DERIVATIVE AND ITS MEDICINAL USE SMITHKLINE BEECHAM PLC (GB) 2003-04-02 EP disclosed
EP-0683783-B1 RAPAMYCIN DERIVATIVE PROCESS FOR ITS PREPARATION AND ITS USE SMITHKLINE BEECHAM PLC (GB) 2001-07-11 EP disclosed
US-5583018-A FUNGICIDE, IMMUNOMODULATOR SMITHKLINE BEECHAM P.L.C. (GB) 1996-12-10 US disclosed
EP-0711297-A1 RAPAMYCIN DERIVATIVE WITH ANTIMICROBIAL, ANTICANCER AND IMMUNOMODULATION ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1996-05-15 EP disclosed
US-5491229-A BACTERICIDES, FUNGICIDES, IMMUNOSUPPRESSANTS, IMMUNOMODULATORS SMITHKLINE BEECHAM PLC (GB) 1996-02-13 US disclosed
EP-0683783-A1 RAPAMYCIN DERIVATIVE PROCESS FOR ITS PREPARATION AND ITS USE SMITHKLINE BEECHAM PLC (GB) 1995-11-29 EP disclosed
EP-0683784-A1 7,42-BIS (O-DEMETHYL) RAPAMYCIN SMITHKLINE BEECHAM PLC (GB) 1995-11-29 EP disclosed
WO-1995004060-A1 RAPAMYCIN DERIVATIVE WITH ANTIMICROBIAL, ANTICANCER AND IMMUNOMODULATION ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1995-02-09 WO disclosed
EP-0621865-A1 RAPAMYCIN DERIVATIVE AND ITS MEDICINAL USE SMITHKLINE BEECHAM PLC (GB) 1994-11-02 EP disclosed
WO-1994018206-A1 RAPAMYCIN DERIVATIVE PROCESS FOR ITS PREPARATION AND ITS USE SMITHKLINE BEECHAM P.L.C. (GB) 1994-08-18 WO disclosed
WO-1994018208-A1 7,42-BIS (O-DEMETHYL) RAPAMYCIN SMITHKLINE BEECHAM PLC (GB) 1994-08-18 WO disclosed
WO-1993011130-A1 RAPAMYCIN DERIVATIVE AND ITS MEDICINAL USE SMITHKLINE BEECHAM PLC (GB) 1993-06-10 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 (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-20080027127-A1 Trans Pyrrolidinyl Derivates and Their Pharmaceutical Use SUCNR1, GLRA1, CNR1 PPM1B 1633/4885PTPN1 788/4885PPP1CC 2889/4885

“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.