SCHEMBL6833627

SCHEMBL6833627

Nc1cc(C(=O)CO)cc(-c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.45
ERCC5 P28715 2/20 0.42
FEN1 P39748 2/20 0.42
MAOA P21397 1/20 0.42
KMO O15229 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
PTPN1 P18031 1/20 0.41
GSK3B P49841 1/20 0.41
PBRM1 Q86U86 1/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 2/20 0.40
FFAR1 O14842 1/20 0.40
CYP1A2 P05177 1/20 0.40
RAB9A P51151 1/20 0.40
HIF1A Q16665 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL2726729 0.82 DHODH (0.65) DHODHMAOAKMOPBRM1EGFR
SCHEMBL3781228 0.80 DHODH (0.68) DHODHMAOAKMOL3MBTL1PBRM1
SCHEMBL27577941 0.79 RXRA (0.49) DHODHERCC5FEN1KMOSMN1; SMN2
SCHEMBL12837765 0.79 KDM4E (0.42) PBRM1LMNAALDH1A1
SCHEMBL14225090 0.79 KDM4E (0.38) PBRM1LMNAALDH1A1
SCHEMBL3787106 0.79 MAPT (0.57) DHODHMAOAKMOSMN1; SMN2PBRM1
SCHEMBL2070299 0.78 ERCC5 (0.66) DHODHERCC5FEN1KMOSMN1; SMN2
SCHEMBL12937368 0.76 KDM4E (0.44) DHODHSMN1; SMN2PBRM1MAPTLMNA
SCHEMBL4833392 0.75 SMN1; SMN2 (0.67) ERCC5FEN1SMN1; SMN2L3MBTL1PTPN1
SCHEMBL2723920 0.75 TSHR (0.53) DHODHPTPN1MAPTLMNARAB9A

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 DHODH 3853/4885ERCC5 3879/4885FEN1 4597/4885

“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.