SCHEMBL3936675

SCHEMBL3936675

Oc1ccc2c(c1)OCc1c-2oc2ccc(O)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRB O95718 11/20 0.51
ESRRA P11474 11/20 0.51
CYP3A4 P08684 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
USP2 O75604 1/20 0.50
ALOX15 P16050 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
PRKD1 Q15139 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
PRKD2 Q9BZL6 1/20 0.44

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
SCHEMBL13958281 0.90 MAPT (0.48) ESRRBESRRACYP3A4KDM4EMEN1
SCHEMBL29747120 0.88 MEN1 (0.51) ESRRBESRRACYP3A4KDM4EMEN1
SCHEMBL19369562 0.88 MEN1 (0.51) ESRRBESRRACYP3A4KDM4EMEN1
SCHEMBL4742427 0.88 KDM4E (0.60) ESRRBESRRACYP3A4KDM4EMEN1
SCHEMBL31464865 0.88 KDM4E (0.60) ESRRBESRRACYP3A4KDM4EMEN1
SCHEMBL12698437 0.85 MAOA (0.51) ESRRBESRRACYP3A4KDM4EMEN1
SCHEMBL31253969 0.80 KDM4E (0.46) ESRRBESRRACYP3A4KDM4EMEN1
SCHEMBL3924574 0.79 ESRRB (0.49) ESRRBESRRACYP3A4KDM4EMEN1
SCHEMBL3924516 0.77 ESRRB (0.50) ESRRBESRRACYP3A4KDM4EMEN1
SCHEMBL903654 0.74 CYP3A4 (0.51) CYP3A4KDM4EMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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
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 ESRRB 6/4885ESRRA 2/4885CYP3A4 1015/4885
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 ESRRB 10/4885ESRRA 11/4885CYP3A4 2346/4885

“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.