SCHEMBL3175405

SCHEMBL3175405

Cc1ccccc1-c1ccccc1-c1ccc(O)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
MAPT P10636 3/20 0.41
NFKB1 P19838 3/20 0.41
NFKB2 Q00653 3/20 0.41
RELA Q04206 3/20 0.41
HSD17B10 Q99714 2/20 0.41
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2D6 P10635 3/20 0.40
LCK P06239 1/20 0.40
KDR P35968 1/20 0.40
JAK3 P52333 1/20 0.40
MAPK14 Q16539 1/20 0.40
MCL1 Q07820 1/20 0.39
TRPA1 O75762 1/20 0.38
TSHR P16473 5/20 0.37
CYP2C19 P33261 2/20 0.37

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
SCHEMBL21742836 0.79 LDHA (0.46) NPC1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL3176320 0.77 CYP2A6 (0.58)
SCHEMBL3172605 0.75 USP7 (0.40) NPC1HSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL21742766 0.74 NPC1 (0.55) NPC1SMN1; SMN2NFKB1NFKB2RELA
SCHEMBL13712978 0.73 TRPA1 (0.48) CYP1A2CYP3A4TRPA1TSHRALOX5AP
SCHEMBL3098901 0.72 MEN1 (0.44) NPC1SMN1; SMN2MAPTNFKB1NFKB2
SCHEMBL6564122 0.72 ACHE (0.60) NPC1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL21742497 0.72 KDM4E (0.58) NPC1SMN1; SMN2MAPTHSD17B10CYP1A2
SCHEMBL4933140 0.72 MEN1 (0.47) NPC1SMN1; SMN2HSD17B10CYP1A2LCK
SCHEMBL31156183 0.72 MEN1 (0.47) NPC1SMN1; SMN2HSD17B10CYP1A2LCK

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-8273745-B2 Polycyclic acid compounds useful as CRTH2 antagonists and antiallergic agents ASTELLAS PHARMA INC (JP) 2012-09-25 US disclosed
EP-2094662-B1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC (JP) 2012-04-11 EP disclosed
US-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2010-01-14 US disclosed
EP-2094662-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS Astellas Pharma Inc. (JP) 2009-09-02 EP disclosed
WO-2008072784-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2008-06-19 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-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS HRH2, HRH1, HRH4 NPC1 1598/4885SMN1; SMN2 4046/4885MAPT 2720/4885

“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.