SCHEMBL4192800

SCHEMBL4192800

CC(Oc1ccc(C#N)c(Cl)c1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.52
S1PR3 Q99500 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.44
ALOX5 P09917 1/20 0.44
FFAR1 O14842 1/20 0.43
RORC P51449 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NOS2 P35228 6/20 0.41
CYP2D6 P10635 5/20 0.41
SLC6A2 P23975 5/20 0.41
SLC6A4 P31645 5/20 0.41
IGLV6-57 P01721 1/20 0.41
KCNH2 Q12809 1/20 0.41
NR3C1 P04150 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
SCHEMBL4197135 0.86 AR (0.48) ARS1PR3MRGPRX4KDM4EALDH1A1
SCHEMBL4207181 0.82 SLC6A4 (0.49) ARS1PR3MRGPRX4NOS2CYP2D6
SCHEMBL13779687 0.82 AR (0.59) ARMRGPRX4KDM4EALDH1A1L3MBTL1
SCHEMBL177449 0.81 AR (0.53) ARMRGPRX4KDM4EALDH1A1L3MBTL1
SCHEMBL4206255 0.80 AR (0.57) ARMRGPRX4KDM4EALDH1A1L3MBTL1
SCHEMBL4198733 0.79 AR (0.58) AR
SCHEMBL4193058 0.79 AR (0.58) AR
SCHEMBL4193056 0.79 AR (0.58) AR
SCHEMBL4200960 0.78 SLC6A2 (0.49) ARS1PR3CYP2D6SLC6A2SLC6A4
SCHEMBL27376804 0.77 AR (0.52) ARMRGPRX4KDM4EALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170886-A1 ANDROGEN MODULATORS PFIZER INC 2009-07-02 US disclosed
US-20090170886-A1 ANDROGEN MODULATORS PFIZER INC 2009-07-02 US disclosed
US-20090170886-A1 ANDROGEN MODULATORS PFIZER INC 2009-07-02 US disclosed
WO-2007017754-A2 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2007-02-15 WO disclosed
EP-1027316-B1 SYNTHESIS OF ARYL ETHERS, METHODS AND REAGENTS RELATED THERETO MASSACHUSETTS INST TECHNOLOGY (US) 2003-05-21 EP disclosed
EP-1254884-A2 Preparation of vinyl ethers from alcohols and alkenes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-11-06 EP disclosed
EP-1245553-A2 Palladium-catalysed synthesis of aryl ethers MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-10-02 EP disclosed
EP-1027316-A1 SYNTHESIS OF ARYL ETHERS, METHODS AND REAGENTS RELATED THERETO MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2000-08-16 EP disclosed
WO-1998015515-A1 SYNTHESIS OF ARYL ETHERS, METHODS AND REAGENTS RELATED THERETO MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1998-04-16 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 (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-20090170886-A1 ANDROGEN MODULATORS AR, NR5A1, SHBG AR 1/4885S1PR3 3142/4885MRGPRX4 1139/4885

“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.