SCHEMBL1507692

SCHEMBL1507692

CC(c1ccc(OCC(=O)O)cc1)(c1ccc(OCC(=O)O)cc1)c1ccc(OCC(=O)O)cc1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.79
ALDH1A1 P00352 3/20 0.59
ALOX15 P16050 1/20 0.59
EPHX2 P34913 1/20 0.56
NR1H4 Q96RI1 1/20 0.56
FFAR1 O14842 1/20 0.53
TSHR P16473 1/20 0.53
NR4A1 P22736 1/20 0.53
APEX1 P27695 1/20 0.53
PTPN7 P35236 2/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PTPN12 Q05209 1/20 0.51
PPARD Q03181 2/20 0.49
PPARA Q07869 1/20 0.49
CYP2C19 P33261 1/20 0.49
MCL1 Q07820 2/20 0.49
MAPK1 P28482 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
SCHEMBL14039415 0.93 SMN1; SMN2 (0.70) SMN1; SMN2ALDH1A1ALOX15EPHX2NR1H4
SCHEMBL1507597 0.93 SMN1; SMN2 (0.70) SMN1; SMN2ALDH1A1ALOX15EPHX2NR1H4
SCHEMBL15204312 0.92 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1ALOX15EPHX2NR1H4
SCHEMBL1283871 0.89 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1ALOX15EPHX2NR1H4
SCHEMBL3389094 0.89 SMN1; SMN2 (0.79) SMN1; SMN2ALDH1A1ALOX15EPHX2NR1H4
SCHEMBL14039496 0.87 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1ALOX15EPHX2NR1H4
Ammonia Solution, Strong SCHEMBL28429402 0.87 SMN1; SMN2 (0.96) SMN1; SMN2ALDH1A1ALOX15EPHX2NR1H4
Hydrochloric Acid SCHEMBL4640626 0.87 SMN1; SMN2 (0.96) SMN1; SMN2ALDH1A1ALOX15EPHX2NR1H4
Formaldehyde SCHEMBL28606744 0.85 SMN1; SMN2 (0.93) SMN1; SMN2ALDH1A1ALOX15EPHX2NR1H4
SCHEMBL15204313 0.85 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1ALOX15EPHX2NR1H4

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 27 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-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-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
US-8765810-B2 Tumor necrosis factor inhibitors THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-07-01 US disclosed
EP-2305246-A1 Tumor necrosis factor inhibitors Ception Therapeutics, Inc. (US) 2011-04-06 EP disclosed
EP-2298295-A1 Tumor necrosis factor inhibitors Ception Therapeutics, Inc. (US) 2011-03-23 EP disclosed
EP-2298295-A1 Tumor necrosis factor inhibitors Ception Therapeutics, Inc. (US) 2011-03-23 EP disclosed
US-20090221527-A1 TUMOR NECROSIS FACTOR INHIBITORS CEPTION THERAPEUTICS, INC. (US) 2009-09-03 US disclosed
US-20090221527-A1 TUMOR NECROSIS FACTOR INHIBITORS CEPTION THERAPEUTICS, INC. (US) 2009-09-03 US disclosed
US-20090221527-A1 TUMOR NECROSIS FACTOR INHIBITORS CEPTION THERAPEUTICS, INC. (US) 2009-09-03 US disclosed
EP-1845970-A4 TUMOR NECROSIS FACTOR INHIBITORS CEPTION THERAPEUTICS INC (US) 2009-02-18 EP disclosed
EP-1845970-A2 TUMOR NECROSIS FACTOR INHIBITORS Ception Therapeutics, Inc. (US) 2007-10-24 EP disclosed
WO-2006083970-A2 TUMOR NECROSIS FACTOR INHIBITORS CEPTION THERAPEUTICS, INC. (US) 2006-08-10 WO disclosed
WO-2006083869-A2 TUMOR NECROSIS FACTOR INHIBITORS CEPTION THERAPEUTICS, INC. (US) 2006-08-10 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 (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-20090221527-A1 TUMOR NECROSIS FACTOR INHIBITORS TNFRSF1A, TNF, TNFRSF9 SMN1; SMN2 4740/4885ALDH1A1 3912/4885ALOX15 596/4885
US-20140256803-A1 TUMOR NECROSIS FACTOR INHIBITORS TNFRSF1A, TNF, TNFRSF9 SMN1; SMN2 4740/4885ALDH1A1 3912/4885ALOX15 596/4885

“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.