SCHEMBL1507640

SCHEMBL1507640

O=C(O)c1ccccc1C(c1ccc(O)cc1)c1ccc(O)cc1.[KH]

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.96
GAA P10253 1/20 0.96
KMT2A Q03164 1/20 0.96
TDP1 Q9NUW8 1/20 0.96
ALOX15 P16050 1/20 0.45
CA12 O43570 4/20 0.44
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA7 P43166 4/20 0.44
CA9 Q16790 4/20 0.44
CA14 Q9ULX7 4/20 0.44
CA4 P22748 2/20 0.44
CA6 P23280 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HMGB1 P09429 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
IDE P14735 1/20 0.44
MAPT P10636 2/20 0.42

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
SCHEMBL438546 0.98 ALDH1A1 (1.00) ALDH1A1GAAKMT2ATDP1ALOX15
SCHEMBL29636490 0.98 ALDH1A1 (1.00) ALDH1A1GAAKMT2ATDP1ALOX15
Phenol SCHEMBL1068767 0.96 ALDH1A1 (0.96) ALDH1A1GAAKMT2ATDP1ALOX15
SCHEMBL16018458 0.90 ALDH1A1 (0.84) ALDH1A1GAAKMT2ATDP1ALOX15
SCHEMBL8945914 0.87 ALDH1A1 (0.79) ALDH1A1GAAKMT2ATDP1ALOX15
SCHEMBL18568766 0.82 ALDH1A1 (0.72) ALDH1A1GAAKMT2ATDP1ALOX15
Potassium Ion SCHEMBL1507637 0.81 ALDH1A1 (0.70) ALDH1A1GAAKMT2ATDP1CA1
SCHEMBL900830 0.80 ALDH1A1 (0.68) ALDH1A1GAAKMT2ATDP1ALOX15
SCHEMBL19474859 0.80 KMT2A (0.69) ALDH1A1GAAKMT2ATDP1KDM4E
SCHEMBL13172304 0.80 ALDH1A1 (0.69) ALDH1A1GAAKMT2ATDP1CA12

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 13 patents. 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-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-20130072562-A1 TUMOR NECROSIS FACTOR INHIBITORS CEPHALON, INC. (US) 2013-03-21 US disclosed
US-8318699-B2 Tumor necrosis factor inhibitors THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-11-27 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
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 (3 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 ALDH1A1 3912/4885GAA 1674/4885KMT2A 4709/4885
US-20140256803-A1 TUMOR NECROSIS FACTOR INHIBITORS TNFRSF1A, TNF, TNFRSF9 ALDH1A1 3912/4885GAA 1674/4885KMT2A 4709/4885
US-20130072562-A1 TUMOR NECROSIS FACTOR INHIBITORS TNFRSF1A, TNF, TNFRSF9 ALDH1A1 3912/4885GAA 1674/4885KMT2A 4709/4885

“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.