SCHEMBL2824657

SCHEMBL2824657

c1ccc(C2=C(c3ccccc3)c3ccccc3CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.45
ESR1 P03372 5/20 0.45
ESR2 Q92731 1/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
SETD7 Q8WTS6 1/20 0.44
CYP19A1 P11511 2/20 0.44
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
CYP17A1 P05093 1/20 0.44
PTGS2 P35354 4/20 0.41
PTGS1 P23219 2/20 0.41
MAOB P27338 1/20 0.41
SRD5A1 P18405 1/20 0.41
EBP Q15125 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
KMT2A Q03164 1/20 0.39

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
SCHEMBL14289688 0.89 ESR1 (0.60) ESR1ESR2
SCHEMBL132494 0.81 ESR2 (0.59) ESR1ESR2PTGS2PTGS1KMT2A
SCHEMBL5116818 0.80 ESR1 (0.60) ESR1ESR2MTNR1AMTNR1BKMT2A
SCHEMBL5124386 0.80 ESR1 (0.60) ESR1ESR2MTNR1AMTNR1BKMT2A
SCHEMBL5117049 0.79 ESR1 (0.66) ESR1ESR2
SCHEMBL18938578 0.77 CES1 (0.62) CES1SETD7CYP19A1CYP11B1CYP11B2
SCHEMBL17152127 0.77 ESR1 (0.69) ESR1ESR2EBPSIGMAR1
SCHEMBL8386622 0.76 ESR1 (0.75) ESR1ESR2
SCHEMBL11821605 0.75 ESR1 (0.72) ESR1MAOBEBPSIGMAR1
SCHEMBL8009481 0.74 CES1 (0.59) CES1SETD7CYP19A1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210369670-A1 USE OF SWELL1 INHIBITORS AND MODULATORS TO TREAT TYPE 2 DIABETES AND OBESITY UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2021-12-02 US disclosed
US-8399520-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 US disclosed
US-20120004315-A1 Selective Estrogen Receptor Modulator RADIUS HEALTH, INC. 2012-01-05 US disclosed
US-7960412-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-14 US disclosed
US-20100317712-A1 Estrogen Agonists/Antagonists For Preventing Breast Cancer CAMERON KIMBERLY O 2010-12-16 US disclosed
US-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR RADIUS HEALTH, INC. 2009-12-31 US disclosed
US-4400543-A ANTIFERTILITY AGENTS ELI LILLY AND COMPANY (US) 1983-08-23 US disclosed
US-4323707-A USEFUL FOR AMIMALS, AROYL-PHENYL-NAPHTHALENES OR DIHYDRONAPHTHALENES ELI LILLY AND COMPANY (US) 1982-04-06 US disclosed
US-4230862-A 3-PHENYL-4-AROYL-1,2-DIHYDRONAPHTHALENES AND 1-ARYOYL-2-PHENYLNAPHTHALENES ELI LILLY AND COMPANY (US) 1980-10-28 US disclosed
US-4133814-A ANTITUMOR AGENTS ELI LILLY AND COMPANY (US) 1979-01-09 US disclosed
US-4075227-A NONSTEROIDAL ELI LILLY AND COMPANY (US) 1978-02-21 US disclosed
US-4075223-A NONSTEROIDAL ELI LILLY AND COMPANY (US) 1978-02-21 US disclosed
US-4017546-A AROYL PHENYL INDENES AND AROYL PHENYL NAPHTHALENES ELI LILLY AND COMPANY (US) 1977-04-12 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 (4 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-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR ESR1, GPER1, ESR2 CES1 1162/4885ESR1 1/4885ESR2 3/4885
US-20100317712-A1 Estrogen Agonists/Antagonists For Preventing Breast Cancer ESR1, GPER1, ESR2 CES1 300/4885ESR1 1/4885ESR2 3/4885
US-20210369670-A1 USE OF SWELL1 INHIBITORS AND MODULATORS TO TREAT TYPE 2 DIABETES AND OBESITY GPR119, GLP1R, SLC5A2 CES1 188/4885ESR1 3510/4885ESR2 2357/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 CES1 1245/4885ESR1 1/4885ESR2 3/4885

“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.