SCHEMBL403715

SCHEMBL403715

O=C(c1ccc(OCCN2CC3CCC2C3)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 20/20 0.67
ESR2 Q92731 19/20 0.67
MEN1 O00255 2/20 0.65
ALDH1A1 P00352 2/20 0.65
LMNA P02545 2/20 0.65
TP53 P04637 2/20 0.65
CYP3A4 P08684 2/20 0.65
MAPT P10636 2/20 0.65
ALOX15 P16050 2/20 0.65
KMT2A Q03164 2/20 0.65
HSD17B10 Q99714 2/20 0.65
TDP1 Q9NUW8 2/20 0.65
PLD2 O14939 1/20 0.65
KDM1A O60341 1/20 0.65
NR1I2 O75469 1/20 0.65
USP2 O75604 1/20 0.65
C5 P01031 1/20 0.65
FYN P06241 1/20 0.65
PGR P06401 1/20 0.65
ADRA2A P08913 1/20 0.65

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
SCHEMBL7571507 0.90 ESR1 (0.54) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL6836516 0.86 ENPP3 (0.59) ESR1ESR2
SCHEMBL6836831 0.85 ESR1 (0.67) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL9359344 0.80 ESR1 (1.00) ESR1ESR2MEN1ALDH1A1LMNA
Ly-117018 SCHEMBL4884822 0.80 ESR1 (1.00) ESR1ESR2MEN1ALDH1A1LMNA
Ly-117018 SCHEMBL29417500 0.80 ESR1 (1.00) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL17845185 0.80 ESR1 (0.75) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL18162075 0.80 ESR1 (0.75) ESR1ESR2MEN1ALDH1A1LMNA
Raloxifene SCHEMBL1394941 0.79 ESR1 (0.96) ESR1ESR2MEN1ALDH1A1LMNA
Ly-117018 SCHEMBL7080240 0.79 ESR1 (0.98) ESR1ESR2MEN1ALDH1A1LMNA

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 383 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264413-A1 Compositions and Methods for Treating Female Sexual Dysfunction PFIZER INC. 2009-10-22 US claimed
EP-1021410-B1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER (US) 2006-12-27 EP claimed
EP-0946501-B1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER (US) 2006-05-31 EP claimed
US-6998423-B2 Prevention of loss and restoration of bone mass by certain prostaglandin agonists PFIZER INC. (US) 2006-02-14 US claimed
US-20050215592-A1 Methods for assessing, improving, or maintaining urogenital health in postmenopausal woman PFIZER INC 2005-09-29 US claimed
US-20050065165-A1 Method of treating certain cancers using an estrogen agonist/antagonist PFIZER INC 2005-03-24 US claimed
US-20040259886-A1 Compositions and methods for treating osteoporosis and lowering cholesterol PFIZER INC 2004-12-23 US claimed
US-20040176461-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists PFIZER INC 2004-09-09 US claimed
US-20040157862-A1 Methods for treating osteoarthritis using an estrogen agonist/antagonist PFIZER INC 2004-08-12 US claimed
US-6649657-B2 Administering amide to treat osteoporosis PFIZER INC. 2003-11-18 US claimed
EP-1021410-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 2000-07-26 EP claimed
US-6069175-A ADMINISTERING TO A MAMMAL IN NEED A THERAPEUTICALLY EFFECTIVE AMOUNT OF A MEMBER SELECTED FROM THE 4-HYDROXY TAMOXIFEN, RALOXIFENE, TOREMIFENE, CENTCHROMAN, IDOXIFENE TO TREAT ATHEROSCLEROSIS PFIZER INC. (US) 2000-05-30 US claimed
EP-0946501-A1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER INC. (US) 1999-10-06 EP claimed
EP-0911321-A2 Compounds for the treatment of osteoporosis PFIZER INC. (US) 1999-04-28 EP claimed
WO-1999019300-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 1999-04-22 WO claimed
WO-1998028264-A1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER INC. (US) 1998-07-02 WO claimed
EP-0843999-A1 Use of estrogen agonists/antagonists for the manufacture of a medicament in the treatment of atherosclerosis independent of a lipid lowering effect PFIZER INC. (US) 1998-05-27 EP claimed
US-5589482-A Benzo-thiophene estrogen agonists to treat prostatic hyperplasia PFIZER INC. (US) 1996-12-31 US claimed
EP-0716855-A2 Use of estrogen agonists for treating prostatic disease, obesity and bone loss PFIZER INC. (US) 1996-06-19 EP claimed
WO-1995010513-A1 BENZOTHIOPHENES AND RELATED COMPOUNDS AS ESTROGEN AGONISTS PFIZER INC. (US) 1995-04-20 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20040176461-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 ESR1 1054/4885ESR2 237/4885MEN1 3257/4885
US-20050215592-A1 Methods for assessing, improving, or maintaining urogenital health in postmenopausal woman SHBG, GPER1, CYP19A1 ESR1 5/4885ESR2 6/4885MEN1 2884/4885
US-20040259886-A1 Compositions and methods for treating osteoporosis and lowering cholesterol HMGCR, SHBG, CYP46A1 ESR1 27/4885ESR2 24/4885MEN1 1479/4885
US-20040157862-A1 Methods for treating osteoarthritis using an estrogen agonist/antagonist GPER1, ESR2, ESR1 ESR1 3/4885ESR2 2/4885MEN1 4738/4885
US-20090264413-A1 Compositions and Methods for Treating Female Sexual Dysfunction PDE3A, PDE3B, PDE2A ESR1 24/4885ESR2 40/4885MEN1 4642/4885
US-20050065165-A1 Method of treating certain cancers using an estrogen agonist/antagonist GPER1, ESR2, ESR1 ESR1 3/4885ESR2 2/4885MEN1 891/4885

“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.