SCHEMBL3941869

SCHEMBL3941869

O=C(O)c1cccc2c3c([nH]c12)CCCC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 1.00
ALOX15 P16050 2/20 0.76
MAPK1 P28482 2/20 0.76
HSD17B10 Q99714 2/20 0.76
CASP1 P29466 1/20 0.76
CASP7 P55210 1/20 0.76
MAPT P10636 6/20 0.55
PARP14 Q460N5 1/20 0.52
TP53 P04637 3/20 0.49
MEN1 O00255 1/20 0.49
IKBKB O14920 1/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPK10 P53779 1/20 0.49
KMT2A Q03164 1/20 0.49
PARP1 P09874 1/20 0.49
PBRM1 Q86U86 1/20 0.48
KDM4E B2RXH2 1/20 0.47
PIM1 P11309 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL30317424 1.00 GFER (1.00) GFERALOX15MAPK1HSD17B10CASP1
SCHEMBL6683286 0.98 GFER (0.97) GFERALOX15MAPK1HSD17B10CASP1
SCHEMBL4972251 0.97 GFER (0.94) GFERALOX15MAPK1HSD17B10CASP1
SCHEMBL14635033 0.90 GFER (0.81) GFERALOX15MAPK1HSD17B10CASP1
SCHEMBL150478 0.86 ALOX15 (1.00) GFERALOX15MAPK1HSD17B10CASP1
SCHEMBL4586298 0.86 GFER (0.76) GFERALOX15MAPK1HSD17B10CASP1
SCHEMBL30317358 0.85 GFER (0.74) GFERALOX15MAPK1HSD17B10CASP1
SCHEMBL6624747 0.82 GFER (0.70) GFERALOX15MAPK1HSD17B10CASP1
SCHEMBL6683973 0.81 GFER (0.68) GFERALOX15MAPK1HSD17B10CASP1
Hydrochloric Acid SCHEMBL6497903 0.80 GFER (0.66) GFERALOX15MAPK1HSD17B10CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004063156-A1 NOVEL INDOLE DERIVATES AS FABP-4 INHIBITORS BIOVITRUM AB (SE) 2004-07-29 WO claimed
US-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2009-07-02 US disclosed
EP-2049493-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL Cadila Healthcare Limited (IN) 2009-04-22 EP disclosed
WO-2008059513-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2008-05-22 WO disclosed
US-20080096848-A1 N-(2-(1H-Pyrazol-1-yl)-phenyl)-9H-fluorene-1-carboxamide for example; treating proliferative diseases such as cancer, viral diseases, inflammatory bowel disease, rheumatoid arthritis, psoriasis; combination therapy with other known anticancer drugs CYTOVIA INC. (CA) 2008-04-24 US disclosed
WO-2004063156-A1 NOVEL INDOLE DERIVATES AS FABP-4 INHIBITORS BIOVITRUM AB (SE) 2004-07-29 WO disclosed
US-4057640-A ANTIINFLAMMATORY SCHERING AKTIENGESELLSCHAFT (DT) 1977-11-08 US disclosed
US-4057640-A ANTIINFLAMMATORY SCHERING AKTIENGESELLSCHAFT (DT) 1977-11-08 US disclosed
US-3956295-A ANTIINFLAMMATORY SCHERING AKTIENGESELLSCHAFT (DT) 1976-05-11 US 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 (2 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-20080096848-A1 N-(2-(1H-Pyrazol-1-yl)-phenyl)-9H-fluorene-1-carboxamide for example; treating proliferative diseases such as cancer, viral diseases, inflammatory bowel disease, rheumatoid arthritis, psoriasis; combination therapy with other known anticancer drugs CASP1, CASP9, CASP14 GFER 3670/4885ALOX15 2001/4885MAPK1 2045/4885
US-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CETP, APOB, HDLBP GFER 4246/4885ALOX15 1692/4885MAPK1 2309/4885

“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.