SCHEMBL8901713

SCHEMBL8901713

O=C(C(=Cc1ccc(OCCN2CCCCC2)cc1)c1ccc(OC2CCCCO2)cc1)c1ccc(OC2CCCCO2)cc1O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 15/20 0.50
BCHE P06276 2/20 0.45
ACHE P22303 2/20 0.45
PSMB1 P20618 2/20 0.42
PSMB5 P28074 2/20 0.42
PSMB2 P49721 2/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41

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
SCHEMBL12675059 1.00 MAOB (0.50) MAOBBCHEACHEPSMB1PSMB5
SCHEMBL12930770 0.98 MAOB (0.49) MAOBBCHEACHEPSMB1PSMB5
SCHEMBL15257178 0.94 MAOB (0.46) MAOBBCHEACHEPSMB1PSMB5
SCHEMBL9242050 0.85 PTPN1 (0.40)
SCHEMBL5864259 0.76 MCHR1 (0.55) PSMB1PSMB5PSMB2
SCHEMBL5864125 0.73 HRH3 (0.47) PSMB1PSMB5PSMB2
SCHEMBL5863668 0.72 KDR (0.60)
SCHEMBL5863736 0.70 EPHX2 (0.46) PSMB1PSMB5PSMB2ESR1ESR2
SCHEMBL25191698 0.69 APP (0.53) MAOBBCHEACHEPSMB5ESR1
SCHEMBL9172509 0.69 APP (0.53) MAOBBCHEACHEPSMB5ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389548-B2 Administering an estrogen receptor for treatment of osteoporosis, breast cancer, hypercholesteremia, hyperlipidemia or artheriosclerosis by administering estrogen modulators ENDORECHERCHE, INC. (CA) 2013-03-05 US disclosed
US-8389548-B2 Administering an estrogen receptor for treatment of osteoporosis, breast cancer, hypercholesteremia, hyperlipidemia or artheriosclerosis by administering estrogen modulators ENDORECHERCHE, INC. (CA) 2013-03-05 US disclosed
US-8188066-B2 Administering an estrogen receptor for treatment of osteoporosis, breast cancer, hypercholesteremia, hyperlipidemia or artheriosclerosis by administering estrogen modulators ENDORECHERCHE, INC. (CA) 2012-05-29 US disclosed
US-7943603-B2 Medical treatment for conditions such as osteoporosis or breast cancer ENDORECHERCHE, INC. (CA) 2011-05-17 US disclosed
US-20100317635-A1 TREATMENT OF HOT FLUSHES, VASOMOTOR SYMPTOMS, AND NIGHT SWEATS WITH SEX STEROID PRECURSORS IN COMBINATION WITH SELECTIVE ESTROGEN RECEPTOR MODULATORS ENDORECHERCHE, INC. (CA) 2010-12-16 US disclosed
US-7429576-B2 Medical uses of a selective estrogen receptor modulator in combination with sex steroid precursors ENDORECHERCHE, INC. (CA) 2008-09-30 US disclosed
US-7429576-B2 Medical uses of a selective estrogen receptor modulator in combination with sex steroid precursors ENDORECHERCHE, INC. (CA) 2008-09-30 US disclosed
US-20070027122-A1 Medical uses of a selective estrogen receptor modulator in combination with sex steroid precursors ENDORECHERCHE, INC. 2007-02-01 US disclosed
US-20070027122-A1 Medical uses of a selective estrogen receptor modulator in combination with sex steroid precursors ENDORECHERCHE, INC. 2007-02-01 US disclosed
US-20070027124-A1 Medical uses of a selective estrogen receptor modulator in combination with sex steroid precursors ENDORECHERCHE, INC. 2007-02-01 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 (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-20070027124-A1 Medical uses of a selective estrogen receptor modulator in combination with sex steroid precursors ESRRA, ESR2, ESRRG MAOB 2486/4885BCHE 1557/4885ACHE 2390/4885
US-20100317635-A1 TREATMENT OF HOT FLUSHES, VASOMOTOR SYMPTOMS, AND NIGHT SWEATS WITH SEX STEROID PRECURSORS IN COMBINATION WITH SELECTIVE ESTROGEN RECEPTOR MODULATORS SHBG, CYP19A1, KISS1R MAOB 1643/4885BCHE 128/4885ACHE 51/4885
US-20070027122-A1 Medical uses of a selective estrogen receptor modulator in combination with sex steroid precursors ESRRA, ESR2, ESRRG MAOB 2486/4885BCHE 1557/4885ACHE 2390/4885

“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.