SCHEMBL4444894

SCHEMBL4444894

Oc1ccc2c(ccc3c4ccc(O)cc4oc23)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.63
ALDH1A1 P00352 5/20 0.63
LMNA P02545 3/20 0.63
HSD17B10 Q99714 3/20 0.63
MAPT P10636 2/20 0.63
ALOX15 P16050 1/20 0.63
HTT P42858 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
DYRK1A Q13627 1/20 0.62
ESR2 Q92731 4/20 0.50
ESR1 P03372 3/20 0.50
KMT2A Q03164 3/20 0.50
MAOA P21397 3/20 0.50
GLA P06280 3/20 0.50
GAA P10253 3/20 0.50
HPGD P15428 3/20 0.50
MEN1 O00255 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MGAM O43451 1/20 0.50
NR1I2 O75469 1/20 0.50

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
SCHEMBL13958278 0.88 DYRK1A (0.50) KDM4EALDH1A1LMNAHSD17B10MAPT
SCHEMBL22743382 0.79 DYRK1A (0.55) KDM4EALDH1A1LMNAHSD17B10MAPT
SCHEMBL29600967 0.79 KDM4E (1.00) KDM4EALDH1A1LMNAHSD17B10MAPT
SCHEMBL3874542 0.79 KDM4E (1.00) KDM4EALDH1A1LMNAHSD17B10MAPT
SCHEMBL30974636 0.79 DYRK1A (0.55) KDM4EALDH1A1LMNAHSD17B10MAPT
SCHEMBL4448233 0.77 DYRK1A (0.61) KDM4EALDH1A1LMNAHSD17B10MAPT
SCHEMBL29366180 0.76 MAOA (0.76) KDM4EALDH1A1LMNAHSD17B10MAPT
SCHEMBL124175 0.76 MAOA (0.76) KDM4EALDH1A1LMNAHSD17B10MAPT
SCHEMBL18327130 0.75 DYRK1A (0.69) MAPTDYRK1AESR2ESR1KMT2A
SCHEMBL2766972 0.74 KDM4E (0.59) KDM4EALDH1A1LMNAHSD17B10MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090010884-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF PREVENTING, TREATING, OR INHIBITING INFLAMMATORY DISEASES, DISORDERS, OR CONDITIONS OF THE SKIN, AND DISEASES, DISORDERS, OR CONDITIONS ASSOCIATED WITH COLLAGEN DEPLETION WYETH (US) 2009-01-08 US claimed
US-20060004087-A1 Tetracyclic compounds as estrogen ligands WYETH (US) 2006-01-05 US claimed
WO-2009009417-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS OF PREVENTING, TREATING, OR INHIBITING INFLAMMATORY DISEASES, DISORDERS, OR CONDITIONS OF THE SKIN, AND DISEASES, DISORDERS, OR CONDITIONS ASSOCIATED WITH COLLAGEN DEPLETION WYETH (US) 2009-01-15 WO disclosed
US-20090010884-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF PREVENTING, TREATING, OR INHIBITING INFLAMMATORY DISEASES, DISORDERS, OR CONDITIONS OF THE SKIN, AND DISEASES, DISORDERS, OR CONDITIONS ASSOCIATED WITH COLLAGEN DEPLETION WYETH (US) 2009-01-08 US disclosed
EP-1761513-A1 TETRACYCLIC COMPOUNDS AS ESTROGEN LIGANDS Wyeth (US) 2007-03-14 EP disclosed
WO-2006007503-A1 TETRACYCLIC COMPOUNDS AS ESTROGEN LIGANDS WYETH (US) 2006-01-19 WO disclosed
US-20060004087-A1 Tetracyclic compounds as estrogen ligands WYETH (US) 2006-01-05 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 (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-20060004087-A1 Tetracyclic compounds as estrogen ligands ESR1, ESRRA, ESR2 KDM4E 859/4885ALDH1A1 3218/4885LMNA 3527/4885
US-20090010884-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF PREVENTING, TREATING, OR INHIBITING INFLAMMATORY DISEASES, DISORDERS, OR CONDITIONS OF THE SKIN, AND DISEASES, DISORDERS, OR CONDITIONS ASSOCIATED WITH COLLAGEN DEPLETION COL2A1, COL1A1, COL14A1 KDM4E 1534/4885ALDH1A1 1461/4885LMNA 251/4885

“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.