SCHEMBL3772076

SCHEMBL3772076

COc1ccc2c(c1)CCC(c1ccccc1)=C2c1ccc(OCCN2CCCC2)nc1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.79
SIGMAR1 Q99720 1/20 0.79
ESR1 P03372 10/20 0.50
ESR2 Q92731 7/20 0.50
PTPN1 P18031 4/20 0.50
LTA4H P09960 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
KDR P35968 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
Nafoxidine SCHEMBL153125 0.89 EBP (1.00) EBPSIGMAR1ESR1ESR2LTA4H
Nafoxidine SCHEMBL10563464 0.89 EBP (1.00) EBPSIGMAR1ESR1ESR2LTA4H
Nafoxidine SCHEMBL29494604 0.89 EBP (1.00) EBPSIGMAR1ESR1ESR2LTA4H
Nafoxidine SCHEMBL29562423 0.88 EBP (0.98) EBPSIGMAR1ESR1ESR2LTA4H
Nafoxidine SCHEMBL8430193 0.88 EBP (0.98) EBPSIGMAR1ESR1ESR2LTA4H
Nafoxidine SCHEMBL115778 0.88 EBP (0.98) EBPSIGMAR1ESR1ESR2LTA4H
SCHEMBL3781069 0.86 EBP (0.58) EBPSIGMAR1ESR1ESR2PTPN1
SCHEMBL8015672 0.83 EBP (0.88) EBPSIGMAR1ESR1ESR2LTA4H
SCHEMBL2811903 0.82 EBP (0.88) EBPSIGMAR1ESR1ESR2LTA4H
Nafoxidine SCHEMBL28223042 0.82 EBP (0.82) EBPSIGMAR1ESR1ESR2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317712-A1 Estrogen Agonists/Antagonists For Preventing Breast Cancer CAMERON KIMBERLY O 2010-12-16 US disclosed
US-RE39558-E1 5-Substituted-6-cyclic-5,6,7,8-tetrahydronaphthalen 2-ol compounds which are useful for treating osteoporosis PFIZER INC. (US) 2007-04-10 US disclosed
EP-1411049-A1 Estrogen Agonists/Antagonists PFIZER INC. (US) 2004-04-21 EP disclosed
US-20020132816-A1 Estrogen agonists/antagonists for preventing breast cancer CAMERON KIMBERLY O (US) 2002-09-19 US disclosed
US-6441193-B1 INTERMEDIATES SUCH AS 1-(2-(4-(6-METHOXY-3,4-DIHYDRONAPHTHA-LEN-1-YL)PHENOXY)ETHYL)PYRROLIDINE AND COMPOUNDS SUCH AS CIS-6-PHENYL-5-(4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL)-5,6,7,8 -TETRAHYDRONAPHTHALEN-2-OL, HYDROBROMIDE SALT PFIZER INC. 2002-08-27 US disclosed
EP-0802910-B1 ESTROGEN AGONISTS/ANTAGONISTS PFIZER (US) 2002-03-13 EP disclosed
EP-1151998-A1 Estrogen agonists/antagonists PFIZER INC. (US) 2001-11-07 EP disclosed
US-20010025051-A1 Estrogen agonists/antagonists for preventing breast cancer CAMERON KIMBERLY O (US) 2001-09-27 US disclosed
US-6204286-B1 8-(P-(PYRROLIDINYLALKOXY)PHENYL)TETRAHYDRONAPHTHOLS PFIZER INC 2001-03-20 US disclosed
US-6153622-A Estrogen agonists/antagonists PFIZER, INC. (US) 2000-11-28 US disclosed
EP-1004306-A2 Estrogen agonists/antagonists Pfizer Products Inc. (US) 2000-05-31 EP disclosed
EP-0802910-A1 ESTROGEN AGONISTS/ANTAGONISTS PFIZER INC. (US) 1997-10-29 EP disclosed
US-5552412-A 5-substitued-6-cyclic-5,6,7,8-tetrahydronaphthalen2-ol compounds which are useful for treating osteoporosis PFIZER INC (US) 1996-09-03 US disclosed
WO-1996021656-A1 ESTROGEN AGONISTS/ANTAGONISTS PFIZER, INC. (US) 1996-07-18 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-20010025051-A1 Estrogen agonists/antagonists for preventing breast cancer GPER1, ESR1, BRCA1 EBP 65/4885SIGMAR1 372/4885ESR1 2/4885
US-20100317712-A1 Estrogen Agonists/Antagonists For Preventing Breast Cancer ESR1, GPER1, ESR2 EBP 42/4885SIGMAR1 606/4885ESR1 1/4885
US-20020132816-A1 Estrogen agonists/antagonists for preventing breast cancer GPER1, ESR1, BRCA1 EBP 65/4885SIGMAR1 372/4885ESR1 2/4885

“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.