SCHEMBL4909097

SCHEMBL4909097

CCOC(=O)c1cc2c(c(OCc3ccccc3)c1)CCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MAOB P27338 3/20 0.44
NPC1 O15118 2/20 0.44
HPGD P15428 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 1/20 0.44
NFKB1 P19838 1/20 0.44
GRM5 P41594 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PPIA P62937 2/20 0.43
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
MAOA P21397 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40

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
SCHEMBL6044463 0.85 HSD17B10 (0.46) HSD17B10SMN1; SMN2MAOBNPC1HPGD
SCHEMBL19809517 0.81 MAOB (0.51) SMN1; SMN2MAOBNPC1HPGDRAB9A
SCHEMBL26644411 0.81 HSD17B2 (0.49) HSD17B10SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL90485 0.80 REN (0.44) SMN1; SMN2NPC1HPGDRAB9AALDH1A1
SCHEMBL31643921 0.79 F2 (0.41) HSD17B10MAOBNPC1RAB9AALDH1A1
SCHEMBL28633934 0.78 KDM4E (0.56) SMN1; SMN2NPC1HPGDRAB9APPIA
SCHEMBL4908380 0.76 CRHBP (0.52) SMN1; SMN2MAOBHPGDALDH1A1NPSR1
SCHEMBL4908377 0.76 CRHBP (0.52) SMN1; SMN2MAOBHPGDALDH1A1NPSR1
SCHEMBL2555031 0.76 CA12 (0.43) SMN1; SMN2NPC1HPGDRAB9AALDH1A1
SCHEMBL4909799 0.76 MAOB (0.49) SMN1; SMN2MAOBNPC1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984377-A2 INHIBITORS OF TNF ALPHA , PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH Signal Pharmaceuticals LLC (US) 2008-10-29 EP disclosed
US-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith MCKENNA JEFFREY M 2008-01-03 US disclosed
WO-2007084560-A2 INHIBITORS OF TNFα, PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2007-07-26 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-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith PDE4A, PDE4B, BRAF HSD17B10 2515/4885SMN1; SMN2 3598/4885MAOB 869/4885

“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.