SCHEMBL3415530

SCHEMBL3415530

O=C(c1ccc(O)cc1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.81
LMNA P02545 2/20 0.76
CYP1A2 P05177 1/20 0.76
PTGS1 P23219 1/20 0.76
SLC6A2 P23975 1/20 0.76
CYP2C19 P33261 1/20 0.76
PTGS2 P35354 1/20 0.76
SLC6A3 Q01959 1/20 0.76
HIF1A Q16665 1/20 0.76
HDAC6 Q9UBN7 1/20 0.76
NR4A1 P22736 1/20 0.72
NR4A2 P43354 1/20 0.72
NR4A3 Q92570 1/20 0.72
ALDH1A1 P00352 2/20 0.69
HTT P42858 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
MAOB P27338 1/20 0.68
PARP10 Q53GL7 1/20 0.68
MAPT P10636 2/20 0.66

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
SCHEMBL3232949 0.95 SRD5A2 (0.90) SRD5A2LMNACYP1A2PTGS1SLC6A2
SCHEMBL402300 0.93 SRD5A2 (0.87) SRD5A2LMNACYP1A2PTGS1SLC6A2
Monobenzone SCHEMBL1903511 0.87 LMNA (1.00) SRD5A2LMNACYP1A2PTGS1SLC6A2
Monobenzone SCHEMBL8450838 0.87 LMNA (1.00) SRD5A2LMNACYP1A2PTGS1SLC6A2
Monobenzone SCHEMBL11272996 0.87 LMNA (1.00) SRD5A2LMNACYP1A2PTGS1SLC6A2
Monobenzone SCHEMBL35631 0.87 LMNA (1.00) SRD5A2LMNACYP1A2PTGS1SLC6A2
SCHEMBL6654887 0.87 SRD5A2 (0.77) SRD5A2LMNACYP1A2PTGS1SLC6A2
SCHEMBL8503299 0.87 SRD5A2 (0.77) SRD5A2LMNACYP1A2PTGS1SLC6A2
SCHEMBL10784972 0.87 SRD5A2 (0.77) SRD5A2LMNANR4A1NR4A2NR4A3
SCHEMBL8067849 0.87 SRD5A2 (0.77) SRD5A2LMNACYP1A2PTGS1SLC6A2

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
EP-3266771-B1 SYNTHESIS OF PHOTOACTIVABLE CAGED CYCLOFEN-OH AND DERIVATIVES THEREOF PARIS SCIENCES LETTRES QUARTIER LATIN (FR) 2019-02-20 EP disclosed
WO-2017212059-A1 SYNTHESIS OF PHOTOACTIVABLE CAGED CYCLOFEN-OH AND DERIVATIVES THEREOF PARIS SCIENCES ET LETTRES - QUARTIER LATIN (FR) 2017-12-14 WO disclosed
WO-2016196342-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-12-08 WO disclosed
WO-2012050263-A1 NOVEL METHOD OF PREPARING ENDOXIFEN CJ CHEILJEDANG CORP. (KR) 2012-04-19 WO disclosed
US-7767739-B2 Cyanato group-containing cyclic phosphazene compound and method for producing the same FUSHIMI PHARMACEUTICAL CO., LTD. (JP) 2010-08-03 US disclosed
US-20090170983-A1 Cyanato Group-Containing Cyclic Phosphazene Compound and Method for Producing The Same FUSHIMI PHARMACEUTICAL CO., LTD. (JP) 2009-07-02 US disclosed
WO-2008030771-A1 CYCLIC ALKYLIDENE COMPOUNDS AS SELECTIVE ESTROGEN RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2008-03-13 WO disclosed
WO-2008030771-A1 CYCLIC ALKYLIDENE COMPOUNDS AS SELECTIVE ESTROGEN RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2008-03-13 WO disclosed
US-5693674-A Method of using triaryl-ethylene derivatives in the treatment and prevention of osteoporosis HOECHST MARION ROUSSEL, INC. (US) 1997-12-02 US disclosed
US-5691384-A Method of using triaryl-ethylene derivatives in the treatment and prevention of osteoporosis HOECHST MARION ROUSSEL, INC. (US) 1997-11-25 US disclosed
EP-0794771-A1 METHOD OF USING TRIARYL-ETHYLENE DERIVATIVES IN THE TREATMENT AND PREVENTION OF OSTEOPOROSIS HOECHST MARION ROUSSEL, INC. (US) 1997-09-17 EP disclosed
WO-1996016646-A1 METHOD OF USING TRIARYL-ETHYLENE DERIVATIVES IN THE TREATMENT AND PREVENTION OF OSTEOPOROSIS HOECHST MARION ROUSSEL, INC. (US) 1996-06-06 WO disclosed
EP-0563392-A1 2-PROPANOL COMPOUND AND RECORDING MATERIAL PREPARED THEREFROM NIPPON SODA CO., LTD. (JP) 1993-10-06 EP 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 (1 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-20090170983-A1 Cyanato Group-Containing Cyclic Phosphazene Compound and Method for Producing The Same CENPE, CPNE4, MCM3 SRD5A2 2752/4885LMNA 3559/4885CYP1A2 3776/4885

“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.