SCHEMBL4450756

SCHEMBL4450756

Oc1ccc2c(c1)CCc1c-2oc2cc(O)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 5/20 0.48
HSD17B10 Q99714 4/20 0.48
CASP1 P29466 3/20 0.48
CASP7 P55210 3/20 0.48
HPGD P15428 2/20 0.48
MAOA P21397 2/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48
MAPT P10636 3/20 0.47
ALOX15 P16050 2/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 1/20 0.47
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
CYP3A4 P08684 2/20 0.41
TP53 P04637 2/20 0.41

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
SCHEMBL13958279 0.90 MIF (0.40) KDM4EALDH1A1HSD17B10CASP1CASP7
SCHEMBL903654 0.88 CYP3A4 (0.51) KDM4EALDH1A1HSD17B10MAOAMAPT
SCHEMBL12698522 0.79 CYP1A2 (0.56) KDM4EALDH1A1HSD17B10CASP1CASP7
SCHEMBL4450099 0.74 ESR1 (0.36) KDM4EALDH1A1MAOALMNASMN1; SMN2
SCHEMBL4742427 0.74 KDM4E (0.60) KDM4EALDH1A1HSD17B10CASP1CASP7
SCHEMBL31464865 0.74 KDM4E (0.60) KDM4EALDH1A1HSD17B10CASP1CASP7
SCHEMBL4450658 0.74 ESR1 (0.42) MAOAESR1ESR2HSP90AA1MAOB
SCHEMBL13958284 0.71 ESR1 (0.35) MAOAMAPTTP53CYP2C9ESR1
SCHEMBL784291 0.71 MAOB (0.59) MAOAESR1ESR2HSP90AA1MAOB
SCHEMBL8122119 0.69 MAPT (0.57) KDM4EALDH1A1HSD17B10CASP1CASP7

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 5 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
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 3218/4885HSD17B10 2108/4885
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 1461/4885HSD17B10 400/4885

“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.