SCHEMBL7019582

SCHEMBL7019582

COc1ccc2c(-c3ccc(OC(C)=O)cc3)c(-c3ccccc3)c(=O)oc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.60
MAPT P10636 6/20 0.60
CYP19A1 P11511 3/20 0.56
ALDH1A1 P00352 7/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
NPC1 O15118 7/20 0.54
RAB9A P51151 6/20 0.54
KMT2A Q03164 4/20 0.54
STAT1 P42224 2/20 0.54
MEN1 O00255 3/20 0.53
GLA P06280 1/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
POLB P06746 2/20 0.53
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL7502359 0.91 GAPDH (0.54) KDM4EMAPTCYP19A1ALDH1A1CYP1A2
SCHEMBL7503007 0.90 MAOB (0.55) KDM4EMAPTCYP19A1ALDH1A1CA1
SCHEMBL7117813 0.89 ALDH1A1 (0.64) KDM4EMAPTCYP19A1ALDH1A1CYP1A2
SCHEMBL7117556 0.89 ALDH1A1 (0.67) KDM4EMAPTCYP19A1ALDH1A1CYP1A2
SCHEMBL8584789 0.87 MAPT (0.52) KDM4EMAPTCYP19A1ALDH1A1CYP2C9
SCHEMBL7020074 0.87 MAOB (0.51) KDM4EMAPTCYP19A1ALDH1A1CYP2C9
SCHEMBL13819275 0.85 ALDH1A1 (0.63) KDM4EMAPTCYP19A1ALDH1A1CYP1A2
SCHEMBL7120550 0.84 CYP19A1 (0.72) KDM4EMAPTCYP19A1ALDH1A1CYP1A2
SCHEMBL8934549 0.84 CA1 (0.64) KDM4EMAPTCYP19A1ALDH1A1CYP1A2
SCHEMBL7155199 0.84 ALDH1A1 (0.58) KDM4EMAPTCYP19A1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0937057-B1 NOVEL (-)-ENANTIOMERS OF CIS-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK AS (DK) 2003-01-15 EP disclosed
EP-0937060-B1 CIS-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK AS (DK) 2002-12-11 EP disclosed
US-6316494-B1 FOR THERAPY AND PROPHYLAXIS OF BONE LOSS, OSTEOPOROSIS, CARDIOVASCULAR DISEASES, COGNITIVE DISORDERS, MENOPAUSAL SYMPTOMS, INCONTINENCE, OBESITY, DYSMENORRHEA, DYSFUNCTIONAL UTERINE BLEEDING, ACNE, HIRSUTISM, POST-PARTUM LACTATION NOVO NORDISK A/S (DK) 2001-11-13 US disclosed
US-6043269-A ESTROGEN AGONISTS NOVO NORDISK A/S (DK) 2000-03-28 US disclosed
US-5994390-A OSTEOPOROSIS; CARDIOVASCULAR DISORDERS; UROGENITAL DISORDERS NOVO NORDISK (DK) 1999-11-30 US disclosed
US-5985306-A (+)-enantiomers of cis-3,4-chroman derivatives useful in prevention or treatment of estrogen diseases or syndromes NOVO NORDISK A/S (DK) 1999-11-16 US disclosed
EP-0937059-A1 NOVEL $i(TRANS)-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 1999-08-25 EP disclosed
EP-0937057-A1 NOVEL (-)-ENANTIOMERS OF CIS-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 1999-08-25 EP disclosed
EP-0937058-A1 NOVEL $i(CIS)-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 1999-08-25 EP disclosed
EP-0937060-A1 NOVEL $i(CIS)-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 1999-08-25 EP disclosed
EP-0934298-A1 NOVEL (+)-ENANTIOMERS OF $i(CIS)-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 1999-08-11 EP disclosed
WO-1998018771-A1 NOVEL (-)-ENANTIOMERS OF CIS-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 1998-05-07 WO disclosed
WO-1998018773-A1 NOVEL CIS-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 1998-05-07 WO disclosed
WO-1998018775-A1 NOVEL (+)-ENANTIOMERS OF CIS-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 1998-05-07 WO disclosed
WO-1998018774-A1 NOVEL TRANS-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 1998-05-07 WO disclosed
WO-1998018776-A1 NOVEL CIS-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 1998-05-07 WO disclosed