SCHEMBL6837874

SCHEMBL6837874

CC(=O)c1cc(-c2ccccc2)cc([N+](=O)[O-])c1O

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.71
CRHR2 Q13324 1/20 0.71
ABCC1 P33527 4/20 0.49
ERN1 O75460 8/20 0.47
ABCB1 P08183 5/20 0.47
KCNMA1 Q12791 1/20 0.47
PTPN1 P18031 1/20 0.44
AKR1C2 P52895 2/20 0.43
AKR1C1 Q04828 2/20 0.43

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
SCHEMBL5707253 0.84 CRHBP (1.00) CRHBPCRHR2ABCC1ERN1ABCB1
SCHEMBL14283133 0.81 ABCB1 (0.58) CRHBPCRHR2ABCC1ABCB1KCNMA1
SCHEMBL25302339 0.81 ABCB1 (0.52) CRHBPCRHR2ABCC1ABCB1KCNMA1
SCHEMBL27769307 0.77 TSHR (0.59) CRHBPCRHR2ABCC1ABCB1KCNMA1
SCHEMBL4132017 0.76 GPR35 (0.69) KCNMA1
SCHEMBL31392530 0.76 GPR35 (0.69) KCNMA1
SCHEMBL23402067 0.76 PTPN1 (0.50) CRHBPCRHR2PTPN1AKR1C2AKR1C1
SCHEMBL11067720 0.76 GPR35 (0.61)
SCHEMBL3317242 0.76 CRHBP (0.77) CRHBPCRHR2ABCC1ERN1PTPN1
SCHEMBL27707704 0.75 MAPT (0.60) CRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040049072-A1 RXR modulators with improved pharmacologic profile LIGAND PHARMACEUTICALS INC 2004-03-11 US disclosed
US-6593493-B1 2-(Carboxy(unsaturated)alkyl)-1-(haloalkoxy)benzene derivatives; retinoid X receptors; cardiovascular, skin, eating and vision disorders; anticarcinogenic agents; non-insulin-dependent diabetes LIGAND PHARMACEUTICALS, INC. 2003-07-15 US disclosed
EP-1216221-A2 RXR MODULATORS WITH IMPROVED PHARMACOLOGIC PROFILE LIGAND PHARMACEUTICALS INCORPORATED (US) 2002-06-26 EP disclosed
WO-2001019770-A2 RXR MODULATORS WITH IMPROVED PHARMACOLOGIC PROFILE LIGAND PHARMACEUTICALS INCORPORATED (US) 2001-03-22 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-20040049072-A1 RXR modulators with improved pharmacologic profile RXRB, RXRG, RXRA CRHBP 329/4885CRHR2 334/4885ABCC1 1672/4885

“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.