SCHEMBL4989575

SCHEMBL4989575

c1ccc(Oc2ccnc3c2ccc2c(Oc4ccccc4)ccnc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.42
TSHR P16473 1/20 0.42
FGFR2 P21802 2/20 0.42
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 1/20 0.39
PDGFRA P16234 2/20 0.39
KIT P10721 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
ALK Q9UM73 1/20 0.38
ERBB2 P04626 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL12154379 0.83 MEN1 (0.40) FGFR2ALDH1A1LOXL2MAPTKMT2A
SCHEMBL1897179 0.78 ERBB2 (0.55) FGFR2ALDH1A1HTTLOXL2KDM4E
SCHEMBL9909764 0.78 LTA4H (0.41) LTA4HTSHRFGFR2ALDH1A1HTT
SCHEMBL12154377 0.77 MEN1 (0.57) ALDH1A1HTTPDGFRAKDM4EMAPT
SCHEMBL22659349 0.74 EGFR (0.57) FGFR2PDGFRAKITALKKDR
SCHEMBL7463576 0.74 APP (0.52) TSHRFGFR2ALDH1A1PDGFRAGLA
SCHEMBL19633787 0.74 FGFR2 (0.48) LTA4HFGFR2ALDH1A1PDGFRAKIT
SCHEMBL4990365 0.73 SLC40A1 (0.50) LTA4HHTTKDM4EMAPTKMT2A
SCHEMBL25466495 0.73 FGFR2 (0.60) FGFR2PDGFRAKITKDR
SCHEMBL4865360 0.73 LTA4H (0.49) LTA4HTSHRALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230050869-A1 THERMOELECTRIC CONVERSION MATERIAL, AND THERMOELECTRIC CONVERSION ELEMENT PREPARED THEREWITH TOYO INK SC HOLDINGS CO., LTD. (JP) 2023-02-16 US disclosed
EP-3902021-A1 THERMOELECTRIC CONVERSION MATERIAL, AND THERMOELECTRIC CONVERSION ELEMENT PREPARED THEREWITH Toyo Ink SC Holdings Co., Ltd. (JP) 2021-10-27 EP disclosed
EP-1681282-B1 METHOD FOR PRODUCING 3,3-DIMETHYL-2-(1-PROPENYL) CYCLOPROPANE CARBOXYLATE SUMITOMO CHEMICAL CO (JP) 2013-01-23 EP disclosed
US-7393971-B2 Method for producing 3,3-dimethyl-2-(1-propenyl) cyclopropanecarboxylate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-07-01 US disclosed
US-20070078278-A1 Method for producing 3, 3-dimethyl-2-(1-propenyl) cyclopropanecarboxylate SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2007-04-05 US disclosed
EP-1681282-A1 METHOD FOR PRODUCING 3,3-DIMETHYL-2-(1-PROPENYL) CYCLOPROPANE CARBOXYLATE Sumitomo Chemical Company, Limited (JP) 2006-07-19 EP 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-20070078278-A1 Method for producing 3, 3-dimethyl-2-(1-propenyl) cyclopropanecarboxylate AOC3, PDXK, AIPL1 LTA4H 2299/4885TSHR 4257/4885FGFR2 3316/4885

“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.