SCHEMBL4159264

SCHEMBL4159264

CCC(C)OP(=O)(O)Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.49
GRM6 O15303 1/20 0.49
GRM4 Q14833 1/20 0.49
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
RECQL P46063 1/20 0.45
TSHR P16473 1/20 0.44
CYP1A2 P05177 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAOB P27338 2/20 0.42
MAOA P21397 1/20 0.42
ACP3 P15309 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
MMP2 P08253 1/20 0.41
PTPRC P08575 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL503476 0.84 AKR1C3 (0.49) CYP2C19TSHRALDH1A1KDM4ECA12
SCHEMBL4923182 0.83 GRM8 (0.51) GRM8GRM6GRM4CYP2D6CYP2C9
SCHEMBL917313 0.80 NPSR1 (0.46) CYP2D6CYP2C9CYP2C19TSHRCYP1A2
SCHEMBL1307263 0.79 PGK1 (0.38) ALDH1A1KDM4EMAOBCA1MMP2
SCHEMBL1759926 0.79 PGK1 (0.38) CYP2D6CYP2C19CYP1A2ACP3
SCHEMBL2696137 0.79 TSHR (0.39) GRM4CYP2C9CYP2C19TSHRCYP1A2
SCHEMBL1407856 0.78 TRPA1 (0.42) TSHRCYP1A2MEN1KMT2A
SCHEMBL2032607 0.78 TSHR (0.50) GRM8GRM6GRM4CYP2D6CYP2C9
SCHEMBL915374 0.78 LOXL2 (0.51) TSHRALDH1A1KDM4EMAPT
SCHEMBL643449 0.77 PTPRC (0.50) CYP2D6CYP2C9CYP2C19RECQLCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2006-03-23 US disclosed
EP-1519915-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-04-06 EP disclosed
WO-2004052847-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-06-24 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 (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-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS NR5A1, NR3C2, NR3C1 GRM8 398/4885GRM6 363/4885GRM4 269/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 GRM8 332/4885GRM6 305/4885GRM4 228/4885

“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.