SCHEMBL1507665

SCHEMBL1507665

COc1ccc(C(C(=O)O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.54
CA2 P00918 6/20 0.54
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
APEX1 P27695 1/20 0.49
MAPK1 P28482 1/20 0.49
RECQL P46063 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PLK1 P53350 1/20 0.48
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
PARP1 P09874 1/20 0.47
PARP10 Q53GL7 1/20 0.47

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
SCHEMBL6045338 0.94 KCNN4 (0.55) CA1CA2CES2CES1MAPT
SCHEMBL14790754 0.88 PPARA (0.54) CA1CA2ALOX15ALDH1A1LMNA
SCHEMBL13701343 0.88 ALDH1A1 (0.63) CA1CA2MAPTALDH1A1THRB
SCHEMBL29936951 0.81 MAPT (0.49) CA1CA2CES2CES1MAPT
SCHEMBL5144776 0.81 CA1 (0.52) CA1CA2CES2CES1MAPT
SCHEMBL2327512 0.81 CA1 (0.52) CA1CA2CES2CES1MAPT
SCHEMBL7358417 0.81 MAPT (0.53) CA1CA2CES2CES1MAPT
SCHEMBL1939457 0.81 AKR1C3 (0.54) CA1CA2CES2CES1MAPT
SCHEMBL2795435 0.81 CYP2C9 (0.55) CA1CA2CES2CES1MAPT
SCHEMBL4232572 0.81 CA1 (0.52) CA1CA2CES2CES1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2305246-B1 Tumor necrosis factor inhibitors UNIV PENNSYLVANIA (US) 2015-08-26 EP disclosed
US-9096607-B2 Tumor necrosis factor inhibitors THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-08-04 US disclosed
US-9096607-B2 Tumor necrosis factor inhibitors THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-08-04 US disclosed
US-20140256803-A1 TUMOR NECROSIS FACTOR INHIBITORS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-09-11 US disclosed
US-20140256803-A1 TUMOR NECROSIS FACTOR INHIBITORS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-09-11 US disclosed
US-8765810-B2 Tumor necrosis factor inhibitors THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-07-01 US disclosed
US-8765810-B2 Tumor necrosis factor inhibitors THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-07-01 US disclosed
EP-1845970-B1 TUMOR NECROSIS FACTOR INHIBITORS CEPHALON INC (US) 2013-08-28 EP disclosed
EP-2298295-B1 Tumor necrosis factor inhibitors CEPHALON INC (US) 2013-08-28 EP disclosed
US-20130072562-A1 TUMOR NECROSIS FACTOR INHIBITORS CEPHALON, INC. (US) 2013-03-21 US disclosed
US-4940718-A BACTERICIDES ELI LILLY AND COMPANY (US) 1990-07-10 US disclosed
US-4902707-A Bicyclic pyrazolidinones, compositions and use ELI LILLY AND COMPANY (US) 1990-02-20 US disclosed
US-4826992-A MICROBIOCIDE INTERMEDIATES ELI LILLY AND COMPANY (US) 1989-05-02 US disclosed
EP-0310214-A2 7-Substituted bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1989-04-05 EP disclosed
US-4795815-A BACTERICIDES, MICROBIOCIDES ELI LILLY AND COMPANY (US) 1989-01-03 US disclosed
US-4716232-A 1-(vinyl phosphonate adduct) pyrazolidinones ELI LILLY AND COMPANY (US) 1987-12-29 US disclosed
EP-0203722-A1 Bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-12-03 EP disclosed
EP-0203723-A1 2,3-(dihydro)bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-12-03 EP disclosed
EP-0202794-A1 7-Substituted-2,3-(Dihydro) bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-11-26 EP disclosed
EP-0202046-A1 7-Substituted bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-11-20 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 (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-20140256803-A1 TUMOR NECROSIS FACTOR INHIBITORS TNFRSF1A, TNF, TNFRSF9 CA1 3087/4885CA2 3736/4885CES2 4785/4885
US-20130072562-A1 TUMOR NECROSIS FACTOR INHIBITORS TNFRSF1A, TNF, TNFRSF9 CA1 3087/4885CA2 3736/4885CES2 4785/4885

“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.