SCHEMBL3012991

SCHEMBL3012991

COc1cccc(-c2ccc3cc(OC)ccc3n2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.57
SMN1; SMN2 Q16637 5/20 0.55
RAB9A P51151 4/20 0.55
KDM4E B2RXH2 4/20 0.55
NPC1 O15118 3/20 0.55
ALDH1A1 P00352 3/20 0.55
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
NCF1 P14598 1/20 0.54
NQO1 P15559 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TOP1 P11387 1/20 0.50
MAPT P10636 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
GAK O14976 2/20 0.48
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48
DYRK1A Q13627 1/20 0.47

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
SCHEMBL1989333 0.89 KDM4E (0.51) MAP4K4SMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL30228475 0.89 KDM4E (0.66) SMN1; SMN2RAB9AKDM4ENPC1ALDH1A1
SCHEMBL5682765 0.89 KDM4E (0.66) SMN1; SMN2RAB9AKDM4ENPC1ALDH1A1
SCHEMBL13399134 0.88 MAP4K4 (0.52) MAP4K4SMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL6851588 0.87 RAB9A (0.69) MAP4K4SMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL29746123 0.87 RAB9A (0.69) MAP4K4SMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL6858239 0.86 RAB9A (0.67) MAP4K4SMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL13870935 0.86 PDGFRB (0.61) MAP4K4SMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL4486496 0.85 KDM4E (0.70) SMN1; SMN2RAB9AKDM4ENPC1ALDH1A1
SCHEMBL13870903 0.84 MAP4K4 (0.51) MAP4K4SMN1; SMN2RAB9AKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546392-B2 17Beta-hydroxysteroid dehydrogenase type 1 inhibitors for the treatment of hormone-related diseases UNIVERSITAET DES SAARLANDES (DE) 2013-10-01 US disclosed
US-8546392-B2 17Beta-hydroxysteroid dehydrogenase type 1 inhibitors for the treatment of hormone-related diseases UNIVERSITAET DES SAARLANDES (DE) 2013-10-01 US disclosed
US-8546392-B2 17Beta-hydroxysteroid dehydrogenase type 1 inhibitors for the treatment of hormone-related diseases UNIVERSITAET DES SAARLANDES (DE) 2013-10-01 US disclosed
US-20100204234-A1 17Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors for the Treatment of Hormone-Related Diseases UNIVERSITAET DES SAARLANDES (DE) 2010-08-12 US disclosed
US-20100204234-A1 17Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors for the Treatment of Hormone-Related Diseases UNIVERSITAET DES SAARLANDES (DE) 2010-08-12 US disclosed
US-20100204234-A1 17Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors for the Treatment of Hormone-Related Diseases UNIVERSITAET DES SAARLANDES (DE) 2010-08-12 US disclosed
EP-2131826-A2 17BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2009-12-16 EP disclosed
WO-2008116920-A2 17BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2008-10-02 WO disclosed
WO-2008116920-A2 17BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2008-10-02 WO disclosed
US-7056931-B2 2-substituted 1,2,3,4-tetrahydroquinolines and derivatives thereof, compositions and methods ELI LILLY AND COMPANY (US) 2006-06-06 US disclosed
EP-1395563-B1 2-SUBSTITUTED 1,2,3,4-TETRAHYDROQUINOLINES AND DERIVATIVES THEREOF, COMPOSITIONS AND METHODS LILLY CO ELI (US) 2006-03-29 EP disclosed
US-6962928-B2 Tetrahydroquinoline derivatives for the inhibition of osteoporosis, estrogen dependent breast cancer, endometriosis and uterine fibrosis ELI LILLY AND COMPANY (US) 2005-11-08 US disclosed
EP-1401446-B1 TETRAHYDROQUINOLIN DERIVATIVES FOR THE INHIBITION OF DISEASES ASSOCIATED WITH ESTROGEN DEPRIVATION OR WITH AN ABERRANT PHYSIOLOGICAL RESPONSE TO ENDOGENOUS ESTROGEN LILLY CO ELI (US) 2005-02-09 EP disclosed
US-20040215018-A1 2-substituted 1,2,3,4-tetrahydroquinolines and derivatives thereof, compositions and methods WALLACE OWEN BRENDAN (US) 2004-10-28 US disclosed
US-20040132770-A1 Tetrahydroquinolin derivatives for the inhibition of diseases associated with estrogen deprivation or with an aberrant physiological response to endogenous estrogen ELI LILLY AND COMPANY 2004-07-08 US disclosed
EP-1401446-A1 TETRAHYDROQUINOLIN DERIVATIVES FOR THE INHIBITION OF DISEASES ASSOCIATED WITH ESTROGEN DEPRIVATION OR WITH AN ABERRANT PHYSIOLOGICAL RESPONSE TO ENDOGENOUS ESTROGEN ELI LILLY AND COMPANY (US) 2004-03-31 EP disclosed
EP-1395563-A1 2-SUBSTITUTED 1,2,3,4-TETRAHYDROQUINOLINES AND DERIVATIVES THEREOF, COMPOSITIONS AND METHODS ELI LILLY AND COMPANY (US) 2004-03-10 EP disclosed
WO-2002094268-A1 TETRAHYDROQUINOLIN DERIVATIVES FOR THE INHIBITION OF DISEASES ASSOCIATED WITH ESTROGEN DEPRIVATION OR WITH AN ABERRANT PHYSIOLOGICAL RESPONSE TO ENDOGENOUS ESTROGEN ELI LILLY AND COMPANY (US) 2002-11-28 WO disclosed
WO-2002094788-A1 2-SUBSTITUTED 1,2,3,4-TETRAHYDROQUINOLINES AND DERIVATIVES THEREOF, COMPOSITIONS AND METHODS ELI LILLY AND COMPANY (US) 2002-11-28 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-20040132770-A1 Tetrahydroquinolin derivatives for the inhibition of diseases associated with estrogen deprivation or with an aberrant physiological response to endogenous estrogen ESR2, ESR1, GPER1 MAP4K4 900/4885SMN1; SMN2 3059/4885RAB9A 1993/4885
US-20100204234-A1 17Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors for the Treatment of Hormone-Related Diseases HSD17B1, HSD17B11, HSD17B2 MAP4K4 3054/4885SMN1; SMN2 2510/4885RAB9A 3773/4885
US-20040215018-A1 2-substituted 1,2,3,4-tetrahydroquinolines and derivatives thereof, compositions and methods CYP19A1, ESR2, NR5A1 MAP4K4 1315/4885SMN1; SMN2 3304/4885RAB9A 3535/4885

“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.