SCHEMBL6833641

SCHEMBL6833641

CCc1cc(Br)c(O)c(OCCC[N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.37
ESR1 P03372 2/20 0.37
IGF1R P08069 1/20 0.34
THRA P10827 3/20 0.33
THRB P10828 3/20 0.33
MAPT P10636 2/20 0.33
ALPG P10696 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL10166473 0.76 IGF1R (0.47) TRPV1IGF1RTHRBMAPTALPG
SCHEMBL12766044 0.71 PTGS2 (0.60) TRPV1MAPTALDH1A1POLB
SCHEMBL6838195 0.70 GPR35 (0.47) ESR1MAPTALDH1A1
SCHEMBL29200153 0.69 LTA4H (0.44) ESR1LMNA
SCHEMBL1250655 0.68 TSHR (0.50) ESR1MAPTALDH1A1
SCHEMBL29200149 0.67 PTGS2 (0.42) ESR1MAPTALDH1A1POLB
SCHEMBL24506264 0.64 NPC1 (0.42) ESR1NPSR1
SCHEMBL13209836 0.64 IGF1R (0.45) TRPV1IGF1RTHRBMAPTALPG
SCHEMBL20399497 0.63 PTGS2 (0.45) IGF1RMAPTALDH1A1POLB
SCHEMBL8433981 0.63 TRPA1 (0.46) ESR1IGF1RALDH1A1

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 TRPV1 586/4885ESR1 440/4885IGF1R 1826/4885

“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.