SCHEMBL3933889

SCHEMBL3933889

Oc1ccc2c(-c3nc4cc(O)ccc4o3)cccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 17/20 1.00
ESR2 Q92731 17/20 1.00
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
MAPT P10636 1/20 0.58
HPGD P15428 1/20 0.58
KMT2A Q03164 1/20 0.58
HSD17B10 Q99714 1/20 0.58
PIK3CA P42336 1/20 0.52
PIK3CB P42338 1/20 0.52
KDM6B O15054 1/20 0.51
KDM6A O15550 1/20 0.51

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
SCHEMBL3926798 0.88 ESR1 (1.00) ESR1ESR2MEN1ALDH1A1MAPT
SCHEMBL1375754 0.81 ESR1 (1.00) ESR1ESR2PIK3CAPIK3CBKDM6B
SCHEMBL6311736 0.79 ESR1 (1.00) ESR1ESR2MEN1ALDH1A1MAPT
SCHEMBL3924573 0.79 ESR1 (0.79) ESR1ESR2MEN1ALDH1A1MAPT
SCHEMBL1378665 0.78 ESR1 (1.00) ESR1ESR2PIK3CAPIK3CBKDM6B
SCHEMBL9115528 0.78 ESR1 (0.65) ESR1ESR2MEN1ALDH1A1MAPT
SCHEMBL4444923 0.76 ESR1 (0.78) ESR1ESR2MEN1ALDH1A1MAPT
SCHEMBL27090250 0.76 ESR1 (0.75) ESR1ESR2MEN1ALDH1A1MAPT
SCHEMBL27090226 0.75 ESR1 (0.73) ESR1ESR2MEN1ALDH1A1MAPT
SCHEMBL5960512 0.75 ESR2 (0.61) ESR1ESR2MEN1ALDH1A1MAPT

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 8 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-20030171412-A1 Naphthyl benzoxazoles and benzisoxazoles as estrogenic agents WYETH 2003-09-11 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-20050272786-A1 Naphthyl benzoxazoles and benzisoxazoles as estrogenic agents WYETH (US) 2005-12-08 US disclosed
US-6960607-B2 Naphthyl benzoxazoles and benzisoxazoles as estrogenic agents WYETH (US) 2005-11-01 US disclosed
US-20030171412-A1 Naphthyl benzoxazoles and benzisoxazoles as estrogenic agents WYETH 2003-09-11 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 (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-20030171412-A1 Naphthyl benzoxazoles and benzisoxazoles as estrogenic agents ESR1, ESR2, ESRRA ESR1 1/4885ESR2 2/4885MEN1 2453/4885
US-20050272786-A1 Naphthyl benzoxazoles and benzisoxazoles as estrogenic agents ESR1, ESRRA, ESR2 ESR1 1/4885ESR2 3/4885MEN1 2041/4885
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 ESR1 4/4885ESR2 5/4885MEN1 2285/4885

“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.