SCHEMBL5115645

SCHEMBL5115645

CC(Oc1ccc(CC2c3ccc(O)cc3CCN2c2ccc(C(F)(F)F)cc2)cc1)C1CCCCN1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.46
ESR2 Q92731 7/20 0.46
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 1/20 0.34
HTR2A P28223 1/20 0.33

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
SCHEMBL5105659 0.91 ESR1 (0.48) ESR1ESR2KDM4EALDH1A1ALOX15
SCHEMBL5104970 0.91 ESR1 (0.48) ESR1ESR2KDM4EALDH1A1ALOX15
SCHEMBL5108305 0.91 ESR1 (0.48) ESR1ESR2KDM4EALDH1A1ALOX15
SCHEMBL5101665 0.90 ESR1 (0.59) ESR1ESR2KDM4EALDH1A1ALOX15
SCHEMBL5109230 0.89 ESR1 (0.41) ESR1ESR2
SCHEMBL5108801 0.89 ESR1 (0.48) ESR1ESR2KDM4EALDH1A1ALOX15
SCHEMBL5104683 0.88 ESR1 (0.45) ESR1ESR2KDM4EALDH1A1ALOX15
SCHEMBL5114924 0.87 ESR1 (0.44) ESR1ESR2KDM4EHTR2A
SCHEMBL5108948 0.87 ESR1 (0.48) ESR1ESR2
SCHEMBL5115565 0.86 KDM4E (0.48) ESR1ESR2KDM4EALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435729-B2 Compounds and methods for modulation of estrogen receptors SIGNAL PHARMACEUTICALS, LLC (US) 2008-10-14 US disclosed
US-7279489-B2 Compounds and methods for modulation of estrogen receptors SIGNAL PHARMACEUTICALS, LLC (US) 2007-10-09 US disclosed
US-20050004360-A1 Compounds and methods for modulation of estrogen receptors SIGNAL PHARMACEUTICALS, INC. 2005-01-06 US disclosed
US-20040082575-A1 Compounds and methods for modulation of estrogen receptors SIGNAL PHARMACEUTICALS, INC. 2004-04-29 US disclosed
US-6593322-B1 Methods are disclosed for modulating ER- beta in cell and/or tissues expressing the same, including cells and/ or tissue that preferentially ER- beta . Methods for treating estrogen-related conditions are also disclosed, including SIGNAL PHARMACEUTICALS, INC. 2003-07-15 US disclosed
US-6436923-B1 ESTROGEN ANTAGONISTS AND/OR AGONISTS FOR TREATING ESTROGEN-RELATED CONDITIONS SIGNAL PHARMACEUTICALS, INC. 2002-08-20 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 (2 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-20050004360-A1 Compounds and methods for modulation of estrogen receptors ESRRB, ESR2, ESRRA ESR1 5/4885ESR2 2/4885KDM4E 986/4885
US-20040082575-A1 Compounds and methods for modulation of estrogen receptors ESRRB, ESRRA, ESR2 ESR1 6/4885ESR2 3/4885KDM4E 663/4885

“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.