SCHEMBL6624747

SCHEMBL6624747

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.70
ALOX15 P16050 2/20 0.68
MAPK1 P28482 2/20 0.68
HSD17B10 Q99714 2/20 0.68
CASP1 P29466 1/20 0.68
CASP7 P55210 1/20 0.68
MAPT P10636 6/20 0.56
PARP14 Q460N5 1/20 0.54
TP53 P04637 3/20 0.54
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
PIM1 P11309 1/20 0.46
PIM3 Q86V86 1/20 0.46
NR4A2 P43354 2/20 0.46
USP2 O75604 2/20 0.45
MEN1 O00255 1/20 0.45
IKBKB O14920 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK10 P53779 1/20 0.45

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
SCHEMBL6683973 0.99 GFER (0.68) GFERALOX15MAPK1HSD17B10CASP1
SCHEMBL30561947 0.84 NISCH (0.57) GFERALOX15MAPK1HSD17B10CASP1
SCHEMBL12764968 0.84 GFER (0.49) GFERALOX15MAPK1HSD17B10CASP1
SCHEMBL29264060 0.84 NISCH (0.57) GFERALOX15MAPK1HSD17B10CASP1
SCHEMBL3941869 0.82 GFER (1.00) GFERALOX15MAPK1HSD17B10CASP1
SCHEMBL30317424 0.82 GFER (1.00) GFERALOX15MAPK1HSD17B10CASP1
SCHEMBL12764963 0.82 GFER (0.47) GFERALOX15MAPK1HSD17B10CASP1
SCHEMBL4586298 0.81 GFER (0.76) GFERALOX15MAPK1HSD17B10CASP1
SCHEMBL150478 0.81 ALOX15 (1.00) GFERALOX15MAPK1HSD17B10CASP1
SCHEMBL6683286 0.81 GFER (0.97) 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 17 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-20230331673-A1 COMPOSITION OF COMPOUNDS THAT MODULATE CELL METABOLISM AND METHODS OF USE CRESCENTA BIOSCIENCES (US) 2023-10-19 US disclosed
US-20230331673-A1 COMPOSITION OF COMPOUNDS THAT MODULATE CELL METABOLISM AND METHODS OF USE CRESCENTA BIOSCIENCES (US) 2023-10-19 US disclosed
US-20230255933-A1 ANTIVIRAL USE OF FABP4 MODULATING COMPOUNDS CRESCENTA BIOSCIENCES (US) 2023-08-17 US disclosed
US-20230241025-A1 ANTIVIRAL USE OF FABP4 MODULATING COMPOUNDS CRESCENTA BIOSCIENCES (US) 2023-08-03 US disclosed
WO-2022010951-A1 ANTIVIRAL USE OF FABP4 MODULATING COMPOUNDS CRESCENTA BIOSCIENCES (US) 2022-01-13 WO disclosed
US-20220002243-A1 NOVEL CELL METABOLISM MODULATING COMPOUNDS AND USES THEREOF CRESCENTA BIOSCIENCES (US) 2022-01-06 US disclosed
WO-2021263246-A1 NOVEL CELL METABOLISM MODULATING COMPOUNDS AND USES THEREOF CRESCENTA BIOSCIENCES (US) 2021-12-30 WO disclosed
US-8080566-B1 Carbazole inhibitors of histamine receptors for the treatment of disease KALYPSYS, INC (US) 2011-12-20 US disclosed
US-8080566-B1 Carbazole inhibitors of histamine receptors for the treatment of disease KALYPSYS, INC (US) 2011-12-20 US disclosed
US-8080566-B1 Carbazole inhibitors of histamine receptors for the treatment of disease KALYPSYS, INC (US) 2011-12-20 US disclosed
EP-0831094-B1 FUSED POLYCYCLIC HETEROCYCLE DERIVATIVES EISAI CO LTD (JP) 2004-12-08 EP disclosed
WO-2004063156-A1 NOVEL INDOLE DERIVATES AS FABP-4 INHIBITORS BIOVITRUM AB (SE) 2004-07-29 WO disclosed
US-5952335-A ANTITUMOR AGENTS EISAI CO., LTD. (JP) 1999-09-14 US disclosed
EP-0831094-A1 FUSED POLYCYCLIC HETEROCYCLE DERIVATIVES Eisai Co., Ltd. (JP) 1998-03-25 EP 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 (4 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-20220002243-A1 NOVEL CELL METABOLISM MODULATING COMPOUNDS AND USES THEREOF FABP4, FABP1, FABP3 GFER 3646/4885ALOX15 635/4885MAPK1 3233/4885
US-20230241025-A1 ANTIVIRAL USE OF FABP4 MODULATING COMPOUNDS FABP1, FABP4, FABP5 GFER 3964/4885ALOX15 1181/4885MAPK1 4418/4885
US-20230331673-A1 COMPOSITION OF COMPOUNDS THAT MODULATE CELL METABOLISM AND METHODS OF USE FABP4, FABP1, FABP3 GFER 3962/4885ALOX15 722/4885MAPK1 3585/4885
US-20230255933-A1 ANTIVIRAL USE OF FABP4 MODULATING COMPOUNDS FABP1, FABP4, FABP5 GFER 3969/4885ALOX15 847/4885MAPK1 4441/4885

“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.